N-(3-methylphenyl)-3-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(3-methylphenyl)-3-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(m-tolyl)-3-[(4-pentoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(3-methylphenyl)-3-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-methylphenyl)-3-[(4-pentoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 3-[(4-amoxybenzoyl)thiocarbamoylamino]-N-(m-tolyl)benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C27H29N3O3S/c1-3-4-5-16-33-24-14-12-20(13-15-24)25(31)30-27(34)29-23-11-7-9-21(18-23)26(32)28-22-10-6-8-19(2)17-22/h6-15,17-18H,3-5,16H2,1-2H3,(H,28,32)(H2,29,30,31,34)