N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-nitro-benzamide Openeye Name: N-[2-[4-methyl-2-(m-tolyl)thiazol-5-yl]ethyl]-3-nitro-benzamide CAS Name: N-[2-[4-methyl-2-(3-methylphenyl)-5-thiazolyl]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-nitrobenzamide Traditional Name: N-[2-[4-methyl-2-(m-tolyl)thiazol-5-yl]ethyl]-3-nitro-benzamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(S2)CCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(S2)CCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H19N3O3S/c1-13-5-3-7-16(11-13)20-22-14(2)18(27-20)9-10-21-19(24)15-6-4-8-17(12-15)23(25)26/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)