2-[(4-heptoxyphenyl)carbonylcarbamothioyl-methyl-amino]-N-phenethyl-benzamide

Systemtic Name: 2-[(4-heptoxyphenyl)carbonylcarbamothioyl-methyl-amino]-N-phenethyl-benzamide Openeye Name: 2-[(4-heptoxybenzoyl)carbamothioyl-methyl-amino]-N-phenethyl-benzamide CAS Name: 2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-methylamino]-N-phenethylbenzamide IUPAC Name: 2-[(4-heptoxybenzoyl)carbamothioyl-methylamino]-N-phenethylbenzamide Traditional Name: 2-[(4-heptoxybenzoyl)thiocarbamoyl-methyl-amino]-N-phenethyl-benzamide Formula: C31H37N3O3S MolecularWeight: 531.70878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C31H37N3O3S/c1-3-4-5-6-12-23-37-26-19-17-25(18-20-26)29(35)33-31(38)34(2)28-16-11-10-15-27(28)30(36)32-22-21-24-13-8-7-9-14-24/h7-11,13-20H,3-6,12,21-23H2,1-2H3,(H,32,36)(H,33,35,38)