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

Systemtic Name: 3-chloranyl-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-chloro-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-chloro-N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3S/c1-11(2)18(25)23-16-8-7-14(10-17(16)27-4)22-20(28)24-19(26)13-6-5-12(3)15(21)9-13/h5-11H,1-4H3,(H,23,25)(H2,22,24,26,28)