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

Systemtic Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]-4-isopropyl-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-13(2)15-6-8-16(9-7-15)21(27)25-22(29)23-17-10-11-18(19(12-17)28-5)24-20(26)14(3)4/h6-14H,1-5H3,(H,24,26)(H2,23,25,27,29)