[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazino]-phenyl-methanone Formula: C20H16ClN3O4S MolecularWeight: 429.87674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H16ClN3O4S/c21-17-15-7-6-14(24(27)28)12-16(15)29-18(17)20(26)23-10-8-22(9-11-23)19(25)13-4-2-1-3-5-13/h1-7,12H,8-11H2