N-butan-2-yl-3-[(4-phenethyloxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-butan-2-yl-3-[(4-phenethyloxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 3-[(4-phenethyloxybenzoyl)carbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-3-[[[[oxo-(4-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-3-[(4-phenethyloxybenzoyl)carbamothioylamino]benzamide Traditional Name: 3-[(4-phenethyloxybenzoyl)thiocarbamoylamino]-N-sec-butyl-benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-3-19(2)28-26(32)22-10-7-11-23(18-22)29-27(34)30-25(31)21-12-14-24(15-13-21)33-17-16-20-8-5-4-6-9-20/h4-15,18-19H,3,16-17H2,1-2H3,(H,28,32)(H2,29,30,31,34)