[4-methyl-2-(phenylmethyl)-1,3-thiazol-5-yl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: [4-methyl-2-(phenylmethyl)-1,3-thiazol-5-yl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: (2-benzyl-4-methyl-thiazol-5-yl)-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: [4-methyl-2-(phenylmethyl)-5-thiazolyl]-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (2-benzyl-4-methyl-1,3-thiazol-5-yl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: (2-benzyl-4-methyl-thiazol-5-yl)-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3S/c1-15-20(30-19(23-15)13-16-5-3-2-4-6-16)21(27)25-11-9-24(10-12-25)17-7-8-18(22-14-17)26(28)29/h2-8,14H,9-13H2,1H3