2-(4-methylsulfanyl-3-nitro-phenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide

Systemtic Name: 2-(4-methylsulfanyl-3-nitro-phenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide Openeye Name: 2-(4-methylsulfanyl-3-nitro-phenyl)-3-tetrahydropyran-4-yl-N-thiazol-2-yl-propanamide CAS Name: 2-[4-(methylthio)-3-nitrophenyl]-3-(4-oxanyl)-N-(2-thiazolyl)propanamide IUPAC Name: 2-(4-methylsulfanyl-3-nitrophenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide Traditional Name: 2-[4-(methylthio)-3-nitro-phenyl]-3-tetrahydropyran-4-yl-N-thiazol-2-yl-propionamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(CC2CCOCC2)C(=O)NC3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(CC2CCOCC2)C(=O)NC3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S2/c1-26-16-3-2-13(11-15(16)21(23)24)14(10-12-4-7-25-8-5-12)17(22)20-18-19-6-9-27-18/h2-3,6,9,11-12,14H,4-5,7-8,10H2,1H3,(H,19,20,22)