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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[[[oxo-[4-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-(3,4-dimethylphenyl)-2-[[4-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]benzamide Formula: C31H29N3O4S MolecularWeight: 539.64466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)OCCOC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)OCCOC4=CC=CC=C4)C

InChI

InChI=1S/C31H29N3O4S/c1-21-12-15-24(20-22(21)2)32-30(36)27-10-6-7-11-28(27)33-31(39)34-29(35)23-13-16-26(17-14-23)38-19-18-37-25-8-4-3-5-9-25/h3-17,20H,18-19H2,1-2H3,(H,32,36)(H2,33,34,35,39)