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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-[(4-hexoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[(4-hexoxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(4-hexoxybenzoyl)thiocarbamoylamino]benzamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C29H33N3O3S/c1-4-5-6-9-18-35-24-16-13-22(14-17-24)27(33)32-29(36)31-26-11-8-7-10-25(26)28(34)30-23-15-12-20(2)21(3)19-23/h7-8,10-17,19H,4-6,9,18H2,1-3H3,(H,30,34)(H2,31,32,33,36)