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

Systemtic Name: N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[4-[4-(4-chlorobenzoyl)piperazino]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=C(C=C5)Cl

Isomeric SMILES

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

InChI

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