3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-(3-methylphenyl)benzamide

Systemtic Name: 3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-(3-methylphenyl)benzamide Openeye Name: 3-[(4-heptoxybenzoyl)carbamothioylamino]-N-(m-tolyl)benzamide CAS Name: 3-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(3-methylphenyl)benzamide IUPAC Name: 3-[(4-heptoxybenzoyl)carbamothioylamino]-N-(3-methylphenyl)benzamide Traditional Name: 3-[(4-heptoxybenzoyl)thiocarbamoylamino]-N-(m-tolyl)benzamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C29H33N3O3S/c1-3-4-5-6-7-18-35-26-16-14-22(15-17-26)27(33)32-29(36)31-25-13-9-11-23(20-25)28(34)30-24-12-8-10-21(2)19-24/h8-17,19-20H,3-7,18H2,1-2H3,(H,30,34)(H2,31,32,33,36)