2-[2-[4-(4-nitrophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[4-(4-nitrophenyl)piperazino]propanoylamino]thiophene-3-carboxamide Formula: C18H21N5O4S MolecularWeight: 403.45544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4S/c1-12(17(25)20-18-15(16(19)24)6-11-28-18)21-7-9-22(10-8-21)13-2-4-14(5-3-13)23(26)27/h2-6,11-12H,7-10H2,1H3,(H2,19,24)(H,20,25)