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

Systemtic Name: 4-(methylamino)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-nitro-benzamide Openeye Name: 4-(methylamino)-N-[2-[4-(2-methylthiazol-4-yl)phenyl]ethyl]-3-nitro-benzamide CAS Name: 4-(methylamino)-N-[2-[4-(2-methyl-4-thiazolyl)phenyl]ethyl]-3-nitrobenzamide IUPAC Name: 4-(methylamino)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-nitrobenzamide Traditional Name: 4-(methylamino)-N-[2-[4-(2-methylthiazol-4-yl)phenyl]ethyl]-3-nitro-benzamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-13-23-18(12-28-13)15-5-3-14(4-6-15)9-10-22-20(25)16-7-8-17(21-2)19(11-16)24(26)27/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,25)