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

Systemtic Name: N-methyl-N-(phenylmethyl)-3-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-benzyl-N-methyl-3-[(4-propoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-methyl-3-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-methyl-3-[(4-propoxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-benzyl-N-methyl-3-[(4-propoxybenzoyl)thiocarbamoylamino]benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O3S/c1-3-16-32-23-14-12-20(13-15-23)24(30)28-26(33)27-22-11-7-10-21(17-22)25(31)29(2)18-19-8-5-4-6-9-19/h4-15,17H,3,16,18H2,1-2H3,(H2,27,28,30,33)