5-[5-[[5-tert-butyl-3-(2,2-dimethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-thiophen-2-yl]carbamoylamino]-2-methyl-phenyl]-N-ethyl-pyridine-2-carboxamide

Systemtic Name: 5-[5-[[5-tert-butyl-3-(2,2-dimethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-thiophen-2-yl]carbamoylamino]-2-methyl-phenyl]-N-ethyl-pyridine-2-carboxamide Openeye Name: 5-[5-[[5-tert-butyl-3-(2,2-dimethyl-3-oxo-piperazine-1-carbonyl)-2-thienyl]carbamoylamino]-2-methyl-phenyl]-N-ethyl-pyridine-2-carboxamide CAS Name: 5-[5-[[[[5-tert-butyl-3-[(2,2-dimethyl-3-oxo-1-piperazinyl)-oxomethyl]-2-thiophenyl]amino]-oxomethyl]amino]-2-methylphenyl]-N-ethyl-2-pyridinecarboxamide IUPAC Name: 5-[5-[[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]carbamoylamino]-2-methylphenyl]-N-ethylpyridine-2-carboxamide Traditional Name: 5-[5-[[5-tert-butyl-3-(3-keto-2,2-dimethyl-piperazine-1-carbonyl)-2-thienyl]carbamoylamino]-2-methyl-phenyl]-N-ethyl-picolinamide Formula: C31H38N6O4S MolecularWeight: 590.73622

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=NC=C(C=C1)C2=C(C=CC(=C2)NC(=O)NC3=C(C=C(S3)C(C)(C)C)C(=O)N4CCNC(=O)C4(C)C)C

Isomeric SMILES

CCNC(=O)C1=NC=C(C=C1)C2=C(C=CC(=C2)NC(=O)NC3=C(C=C(S3)C(C)(C)C)C(=O)N4CCNC(=O)C4(C)C)C

InChI

InChI=1S/C31H38N6O4S/c1-8-32-25(38)23-12-10-19(17-34-23)21-15-20(11-9-18(21)2)35-29(41)36-26-22(16-24(42-26)30(3,4)5)27(39)37-14-13-33-28(40)31(37,6)7/h9-12,15-17H,8,13-14H2,1-7H3,(H,32,38)(H,33,40)(H2,35,36,41)