[4-[4-nitro-3-(propan-2-ylamino)phenyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[4-nitro-3-(propan-2-ylamino)phenyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[3-(isopropylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[4-nitro-3-(propan-2-ylamino)phenyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[4-nitro-3-(propan-2-ylamino)phenyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[3-(isopropylamino)-4-nitro-phenyl]piperazino]-(2-thienyl)methanone Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3S/c1-13(2)19-15-12-14(5-6-16(15)22(24)25)20-7-9-21(10-8-20)18(23)17-4-3-11-26-17/h3-6,11-13,19H,7-10H2,1-2H3