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

Systemtic Name: [4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[(4,5-dimethylthiazol-2-yl)methyl]piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [4-[(4,5-dimethyl-2-thiazolyl)methyl]-1-piperazinyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [4-[(4,5-dimethylthiazol-2-yl)methyl]piperazino]-(2-methyl-3-nitro-phenyl)methanone Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=NC(=C(S3)C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=NC(=C(S3)C)C

InChI

InChI=1S/C18H22N4O3S/c1-12-15(5-4-6-16(12)22(24)25)18(23)21-9-7-20(8-10-21)11-17-19-13(2)14(3)26-17/h4-6H,7-11H2,1-3H3