N-methyl-3-[(4-pentoxyphenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3S/c1-3-4-8-18-33-24-16-14-20(15-17-24)25(31)29-27(34)28-22-11-9-10-21(19-22)26(32)30(2)23-12-6-5-7-13-23/h5-7,9-17,19H,3-4,8,18H2,1-2H3,(H2,28,29,31,34)