N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C(C)C)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C(C)C)OC)C

InChI

InChI=1S/C21H25N3O3S/c1-12(2)19(25)23-17-9-8-16(11-18(17)27-5)22-21(28)24-20(26)15-7-6-13(3)14(4)10-15/h6-12H,1-5H3,(H,23,25)(H2,22,24,26,28)