N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4-nitrophenyl)thio]propionamide Formula: C17H15N3O4S2 MolecularWeight: 389.4487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S2/c1-10(25-13-6-3-11(4-7-13)20(22)23)16(21)19-17-18-14-8-5-12(24-2)9-15(14)26-17/h3-10H,1-2H3,(H,18,19,21)