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

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(p-tolylthio)propionamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N3O4S2/c1-11-3-5-13(6-4-11)26-8-7-16(22)19-18-20-17-14(25-2)9-12(21(23)24)10-15(17)27-18/h3-6,9-10H,7-8H2,1-2H3,(H,19,20,22)