N-tert-butyl-3-[(4-phenethyloxyphenyl)carbonylcarbamothioylamino]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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