4-[(5-nitro-1-benzothiophen-2-yl)carbonyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[(5-nitro-1-benzothiophen-2-yl)carbonyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-(5-nitrobenzothiophene-2-carbonyl)-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-(5-nitro-1-benzothiophene-2-carbonyl)-N-phenylpiperazine-1-carboxamide Traditional Name: 4-(5-nitrobenzothiophene-2-carbonyl)-N-phenyl-piperazine-1-carboxamide Formula: C20H18N4O4S MolecularWeight: 410.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O4S/c25-19(18-13-14-12-16(24(27)28)6-7-17(14)29-18)22-8-10-23(11-9-22)20(26)21-15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,21,26)