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

Systemtic Name: N-[[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[4-(4-benzoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[4-(4-benzoyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[4-(4-benzoylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C30H27ClN4O3S MolecularWeight: 559.07838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC(=C(C=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5)Cl

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC(=C(C=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5)Cl

InChI

InChI=1S/C30H27ClN4O3S/c1-38-27-18-22-10-6-5-9-21(22)17-24(27)28(36)33-30(39)32-23-11-12-26(25(31)19-23)34-13-15-35(16-14-34)29(37)20-7-3-2-4-8-20/h2-12,17-19H,13-16H2,1H3,(H2,32,33,36,39)