[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone Openeye Name: [4-[(4-cyclopropylthiazol-2-yl)methyl]piperazin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone CAS Name: [4-[(4-cyclopropyl-2-thiazolyl)methyl]-1-piperazinyl]-(4,5-dimethoxy-2-nitrophenyl)methanone IUPAC Name: [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(4,5-dimethoxy-2-nitrophenyl)methanone Traditional Name: [4-[(4-cyclopropylthiazol-2-yl)methyl]piperazino]-(4,5-dimethoxy-2-nitro-phenyl)methanone Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CC3=NC(=CS3)C4CC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CC3=NC(=CS3)C4CC4)[N+](=O)[O-])OC

InChI

InChI=1S/C20H24N4O5S/c1-28-17-9-14(16(24(26)27)10-18(17)29-2)20(25)23-7-5-22(6-8-23)11-19-21-15(12-30-19)13-3-4-13/h9-10,12-13H,3-8,11H2,1-2H3