3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-methyl-N-phenyl-benzamide

Systemtic Name: 3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-methyl-N-phenyl-benzamide Openeye Name: 3-[(4-heptoxybenzoyl)carbamothioylamino]-N-methyl-N-phenyl-benzamide CAS Name: 3-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-methyl-N-phenylbenzamide IUPAC Name: 3-[(4-heptoxybenzoyl)carbamothioylamino]-N-methyl-N-phenylbenzamide Traditional Name: 3-[(4-heptoxybenzoyl)thiocarbamoylamino]-N-methyl-N-phenyl-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)N(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O3S/c1-3-4-5-6-10-20-35-26-18-16-22(17-19-26)27(33)31-29(36)30-24-13-11-12-23(21-24)28(34)32(2)25-14-8-7-9-15-25/h7-9,11-19,21H,3-6,10,20H2,1-2H3,(H2,30,31,33,36)