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

Systemtic Name: 3-[(4-pentoxyphenyl)carbonylcarbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(4-pentoxybenzoyl)carbamothioylamino]benzamide CAS Name: 3-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(4-pentoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 3-[(4-amoxybenzoyl)thiocarbamoylamino]-N-benzyl-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)NCC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-2-3-7-17-33-24-15-13-21(14-16-24)26(32)30-27(34)29-23-12-8-11-22(18-23)25(31)28-19-20-9-5-4-6-10-20/h4-6,8-16,18H,2-3,7,17,19H2,1H3,(H,28,31)(H2,29,30,32,34)