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

Systemtic Name: 3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(4-heptoxybenzoyl)carbamothioylamino]benzamide CAS Name: 3-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(4-heptoxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-benzyl-3-[(4-heptoxybenzoyl)thiocarbamoylamino]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)NCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C29H33N3O3S/c1-2-3-4-5-9-19-35-26-17-15-23(16-18-26)28(34)32-29(36)31-25-14-10-13-24(20-25)27(33)30-21-22-11-7-6-8-12-22/h6-8,10-18,20H,2-5,9,19,21H2,1H3,(H,30,33)(H2,31,32,34,36)