2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-methyl-N-(phenylmethyl)benzamide

Systemtic Name: 2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-methyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[(4-hexoxybenzoyl)carbamothioylamino]-N-methyl-benzamide CAS Name: 2-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-methyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[(4-hexoxybenzoyl)carbamothioylamino]-N-methylbenzamide Traditional Name: N-benzyl-2-[(4-hexoxybenzoyl)thiocarbamoylamino]-N-methyl-benzamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)CC3=CC=CC=C3

InChI

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