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

Systemtic Name: N-[[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[4-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]-2-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=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4

InChI

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