3-chloranyl-N-(3-nitro-4-piperazin-1-yl-phenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(3-nitro-4-piperazin-1-yl-phenyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-nitro-4-(1-piperazinyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(3-nitro-4-piperazin-1-ylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(3-nitro-4-piperazino-phenyl)benzothiophene-2-carboxamide Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN4O3S/c20-17-13-3-1-2-4-16(13)28-18(17)19(25)22-12-5-6-14(15(11-12)24(26)27)23-9-7-21-8-10-23/h1-6,11,21H,7-10H2,(H,22,25)