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

Systemtic Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: 3-isobutoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: 3-isobutoxy-N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C(C)C)OC

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C(C)C)OC

InChI

InChI=1S/C23H29N3O4S/c1-14(2)13-30-18-8-6-7-16(11-18)22(28)26-23(31)24-17-9-10-19(20(12-17)29-5)25-21(27)15(3)4/h6-12,14-15H,13H2,1-5H3,(H,25,27)(H2,24,26,28,31)