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

Systemtic Name: N-[4-methyl-5-[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[4-methyl-5-[2-(4-methylanilino)thiazol-4-yl]thiazol-2-yl]-4-nitro-benzamide CAS Name: N-[4-methyl-5-[2-(4-methylanilino)-4-thiazolyl]-2-thiazolyl]-4-nitrobenzamide IUPAC Name: N-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[4-methyl-5-[2-(p-toluidino)thiazol-4-yl]thiazol-2-yl]-4-nitro-benzamide Formula: C21H17N5O3S2 MolecularWeight: 451.52138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H17N5O3S2/c1-12-3-7-15(8-4-12)23-20-24-17(11-30-20)18-13(2)22-21(31-18)25-19(27)14-5-9-16(10-6-14)26(28)29/h3-11H,1-2H3,(H,23,24)(H,22,25,27)