[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[3-(allylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[4-nitro-3-(prop-2-enylamino)phenyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[3-(allylamino)-4-nitro-phenyl]piperazino]-(2-thienyl)methanone Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3S/c1-2-7-19-15-13-14(5-6-16(15)22(24)25)20-8-10-21(11-9-20)18(23)17-4-3-12-26-17/h2-6,12-13,19H,1,7-11H2