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

Systemtic Name: 4-(cyclopropylamino)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[4-(4-methoxyphenyl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-3-nitro-benzamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c1-28-15-7-2-12(3-8-15)17-11-29-20(22-17)23-19(25)13-4-9-16(21-14-5-6-14)18(10-13)24(26)27/h2-4,7-11,14,21H,5-6H2,1H3,(H,22,23,25)