2-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-6-methyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-6-methyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(3-chlorobenzothiophene-2-carbonyl)piperazin-1-yl]-6-methyl-quinoline-3-carbonitrile CAS Name: 2-[4-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-6-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile Traditional Name: 2-[4-(3-chlorobenzothiophene-2-carbonyl)piperazino]-6-methyl-quinoline-3-carbonitrile Formula: C24H19ClN4OS MolecularWeight: 446.95186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCN(CC3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCN(CC3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C24H19ClN4OS/c1-15-6-7-19-16(12-15)13-17(14-26)23(27-19)28-8-10-29(11-9-28)24(30)22-21(25)18-4-2-3-5-20(18)31-22/h2-7,12-13H,8-11H2,1H3