N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-(2-nitroanilino)propanamide CAS Name: N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-nitroanilino)propanamide Traditional Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-(2-nitroanilino)propionamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N4O5S/c1-28-17-8-7-13(11-18(17)29-2)15-12-30-20(22-15)23-19(25)9-10-21-14-5-3-4-6-16(14)24(26)27/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,23,25)