3-methoxy-N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 3-methoxy-N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: 3-methoxy-N-[[4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]-2-naphthamide Formula: C31H30N4O3S MolecularWeight: 538.6599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4OC

InChI

InChI=1S/C31H30N4O3S/c1-21-7-3-6-10-26(21)30(37)35-17-15-34(16-18-35)25-13-11-24(12-14-25)32-31(39)33-29(36)27-19-22-8-4-5-9-23(22)20-28(27)38-2/h3-14,19-20H,15-18H2,1-2H3,(H2,32,33,36,39)