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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)Cl

InChI

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