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

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C31H29ClN4O3S MolecularWeight: 573.10496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H29ClN4O3S/c1-20-7-3-6-10-24(20)30(38)36-15-13-35(14-16-36)27-12-11-23(19-26(27)32)33-31(40)34-29(37)25-17-21-8-4-5-9-22(21)18-28(25)39-2/h3-12,17-19H,13-16H2,1-2H3,(H2,33,34,37,40)