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

Systemtic Name: N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-chloro-2-(4-p-toluoylpiperazino)phenyl]thiophene-2-carboxamide Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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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(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H22ClN3O2S/c1-16-7-9-17(10-8-16)23(29)27-13-11-26(12-14-27)21-18(24)4-2-5-19(21)25-22(28)20-6-3-15-30-20/h2-10,15H,11-14H2,1H3,(H,25,28)