[4-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazino]-phenyl-methanone Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H24N2O2S/c1-15-7-8-18-17(13-15)14-19(26-18)21(25)23-11-9-22(10-12-23)20(24)16-5-3-2-4-6-16/h2-6,14-15H,7-13H2,1H3