N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(phenylthio)propanamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(phenylthio)propionamide Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O4S2/c1-24-13-9-11(20(22)23)10-14-16(13)19-17(26-14)18-15(21)7-8-25-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,19,21)