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

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-benzamide Openeye Name: 3-isopropylsulfanyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(propan-2-ylthio)benzamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanylbenzamide Traditional Name: 3-(isopropylthio)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC(=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)SC1=CC=CC(=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N3O4S2/c1-10(2)26-13-6-4-5-11(7-13)17(22)20-18-19-16-14(25-3)8-12(21(23)24)9-15(16)27-18/h4-10H,1-3H3,(H,19,20,22)