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

Systemtic Name: 5-bromanyl-N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]-1-naphthamide Formula: C30H26BrClN4O2S MolecularWeight: 621.97504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br)Cl

InChI

InChI=1S/C30H26BrClN4O2S/c1-19-6-2-3-7-21(19)29(38)36-16-14-35(15-17-36)27-13-12-20(18-26(27)32)33-30(39)34-28(37)24-10-4-9-23-22(24)8-5-11-25(23)31/h2-13,18H,14-17H2,1H3,(H2,33,34,37,39)