N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-nitroanilino)propanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-nitroanilino)propanamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-nitroanilino)propanamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-nitroanilino)propionamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c1-2-26-12-7-8-14-16(11-12)27-18(20-14)21-17(23)9-10-19-13-5-3-4-6-15(13)22(24)25/h3-8,11,19H,2,9-10H2,1H3,(H,20,21,23)