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

Systemtic Name: N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[3-chloro-2-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]-2-naphthamide Formula: C30H27ClN4O2S MolecularWeight: 543.07898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H27ClN4O2S/c1-20-9-11-22(12-10-20)29(37)35-17-15-34(16-18-35)27-25(31)7-4-8-26(27)32-30(38)33-28(36)24-14-13-21-5-2-3-6-23(21)19-24/h2-14,19H,15-18H2,1H3,(H2,32,33,36,38)