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

Systemtic Name: 2-[(2-hexoxyphenyl)carbonylcarbamothioyl-methyl-amino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[(2-hexoxybenzoyl)carbamothioyl-methyl-amino]benzamide CAS Name: 2-[[[[(2-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-methylamino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[(2-hexoxybenzoyl)carbamothioyl-methylamino]benzamide Traditional Name: N-benzyl-2-[(2-hexoxybenzoyl)thiocarbamoyl-methyl-amino]benzamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3

InChI

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