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

Systemtic Name: 4-(cyclopropylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[4-(2-methylthiazol-4-yl)phenyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[4-(2-methyl-4-thiazolyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[4-(2-methylthiazol-4-yl)phenyl]-3-nitro-benzamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O3S/c1-12-21-18(11-28-12)13-2-5-16(6-3-13)23-20(25)14-4-9-17(22-15-7-8-15)19(10-14)24(26)27/h2-6,9-11,15,22H,7-8H2,1H3,(H,23,25)