3-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-methyl-N-(phenylmethyl)benzamide

Systemtic Name: 3-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-methyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(4-hexoxybenzoyl)carbamothioylamino]-N-methyl-benzamide CAS Name: 3-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-methyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(4-hexoxybenzoyl)carbamothioylamino]-N-methylbenzamide Traditional Name: N-benzyl-3-[(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(=C2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3

InChI

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