(2R)-N-[(4-methoxyphenyl)methyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-[(4-methoxyphenyl)methyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Openeye Name: (2R)-N-[(4-methoxyphenyl)methyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide CAS Name: (2R)-N-[(4-methoxyphenyl)methyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propanamide IUPAC Name: (2R)-N-[(4-methoxyphenyl)methyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-p-anisyl-propionamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)OC)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S2/c1-11(17(22)19-10-12-3-6-14(25-2)7-4-12)26-18-20-15-8-5-13(21(23)24)9-16(15)27-18/h3-9,11H,10H2,1-2H3,(H,19,22)/t11-/m1/s1