3-ethylsulfanyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3-ethylsulfanyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-ethylsulfanyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-(ethylthio)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-ethylsulfanyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-(ethylthio)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C17H15N3O4S2 MolecularWeight: 389.4487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H15N3O4S2/c1-3-25-12-6-4-5-10(7-12)16(21)19-17-18-15-13(24-2)8-11(20(22)23)9-14(15)26-17/h4-9H,3H2,1-2H3,(H,18,19,21)