N-(3,4-dimethylphenyl)-2-[(2-propoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[(2-propoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[[[oxo-(2-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)thiocarbamoylamino]benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C26H27N3O3S/c1-4-15-32-23-12-8-6-10-21(23)25(31)29-26(33)28-22-11-7-5-9-20(22)24(30)27-19-14-13-17(2)18(3)16-19/h5-14,16H,4,15H2,1-3H3,(H,27,30)(H2,28,29,31,33)