N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-ethylpiperazino)phenyl]-5-nitro-benzothiophene-2-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-2-23-9-11-24(12-10-23)17-5-3-16(4-6-17)22-21(26)20-14-15-13-18(25(27)28)7-8-19(15)29-20/h3-8,13-14H,2,9-12H2,1H3,(H,22,26)