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

Systemtic Name: [4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-(4-propylphenyl)methanone Openeye Name: [4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazin-1-yl]-(4-propylphenyl)methanone CAS Name: [4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-(4-propylphenyl)methanone IUPAC Name: [4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(4-propylphenyl)methanone Traditional Name: [4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazino]-(4-propylphenyl)methanone Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H22ClN3O4S/c1-2-3-15-4-6-16(7-5-15)22(28)25-10-12-26(13-11-25)23(29)21-20(24)18-9-8-17(27(30)31)14-19(18)32-21/h4-9,14H,2-3,10-13H2,1H3