4-(3-methylbutylsulfanyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitro-benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-[2-(2-methylthiazol-4-yl)ethyl]-3-nitro-benzamide CAS Name: 4-(3-methylbutylthio)-N-[2-(2-methyl-4-thiazolyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-[2-(2-methylthiazol-4-yl)ethyl]-3-nitro-benzamide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CCNC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CCNC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O3S2/c1-12(2)7-9-25-17-5-4-14(10-16(17)21(23)24)18(22)19-8-6-15-11-26-13(3)20-15/h4-5,10-12H,6-9H2,1-3H3,(H,19,22)