N-(2-methyl-1,3-benzothiazol-6-yl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitro-benzamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitro-benzamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3S2/c1-12(2)8-9-27-18-7-4-14(10-17(18)23(25)26)20(24)22-15-5-6-16-19(11-15)28-13(3)21-16/h4-7,10-12H,8-9H2,1-3H3,(H,22,24)