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

Systemtic Name: 2-[(4-hexoxyphenyl)carbonylcarbamothioyl-methyl-amino]-N-phenethyl-benzamide Openeye Name: 2-[(4-hexoxybenzoyl)carbamothioyl-methyl-amino]-N-phenethyl-benzamide CAS Name: 2-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-methylamino]-N-phenethylbenzamide IUPAC Name: 2-[(4-hexoxybenzoyl)carbamothioyl-methylamino]-N-phenethylbenzamide Traditional Name: 2-[(4-hexoxybenzoyl)thiocarbamoyl-methyl-amino]-N-phenethyl-benzamide Formula: C30H35N3O3S MolecularWeight: 517.6822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C30H35N3O3S/c1-3-4-5-11-22-36-25-18-16-24(17-19-25)28(34)32-30(37)33(2)27-15-10-9-14-26(27)29(35)31-21-20-23-12-7-6-8-13-23/h6-10,12-19H,3-5,11,20-22H2,1-2H3,(H,31,35)(H,32,34,37)