5-chloranyl-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-chloranyl-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]-1-naphthamide Formula: C23H22ClN3O3S MolecularWeight: 455.95708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Cl)OC

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Cl)OC

InChI

InChI=1S/C23H22ClN3O3S/c1-13(2)21(28)26-19-11-10-14(12-20(19)30-3)25-23(31)27-22(29)17-8-4-7-16-15(17)6-5-9-18(16)24/h4-13H,1-3H3,(H,26,28)(H2,25,27,29,31)