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

Systemtic Name: N-[[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[4-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]-1-naphthamide Formula: C30H28N4O2S MolecularWeight: 508.63392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H28N4O2S/c1-21-9-11-23(12-10-21)29(36)34-19-17-33(18-20-34)25-15-13-24(14-16-25)31-30(37)32-28(35)27-8-4-6-22-5-2-3-7-26(22)27/h2-16H,17-20H2,1H3,(H2,31,32,35,37)