N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[4-(m-tolyl)piperazin-1-yl]butyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-[4-(m-tolyl)piperazino]butyl]-5-nitro-benzothiophene-2-carboxamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O3S/c1-18-5-4-6-20(15-18)27-13-11-26(12-14-27)10-3-2-9-25-24(29)23-17-19-16-21(28(30)31)7-8-22(19)32-23/h4-8,15-17H,2-3,9-14H2,1H3,(H,25,29)