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

Systemtic Name: 4-(cyclopropylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-3-nitro-benzamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H20N4O4S/c1-12-19(13-3-8-16(29-2)9-4-13)23-21(30-12)24-20(26)14-5-10-17(22-15-6-7-15)18(11-14)25(27)28/h3-5,8-11,15,22H,6-7H2,1-2H3,(H,23,24,26)