S-cyclopentyl N-[3-methyl-3-(4-nitrophenyl)sulfanyl-1-oxidanylidene-butan-2-yl]carbamothioate

Systemtic Name: S-cyclopentyl N-[3-methyl-3-(4-nitrophenyl)sulfanyl-1-oxidanylidene-butan-2-yl]carbamothioate Openeye Name: S-cyclopentyl N-[1-formyl-2-methyl-2-(4-nitrophenyl)sulfanyl-propyl]carbamothioate CAS Name: N-[3-methyl-3-[(4-nitrophenyl)thio]-1-oxobutan-2-yl]carbamothioic acid S-cyclopentyl ester IUPAC Name: S-cyclopentyl N-[3-methyl-3-(4-nitrophenyl)sulfanyl-1-oxobutan-2-yl]carbamothioate Traditional Name: N-[1-formyl-2-methyl-2-[(4-nitrophenyl)thio]propyl]thiocarbamic acid S-cyclopentyl ester Formula: C17H22N2O4S2 MolecularWeight: 382.49758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C=O)NC(=O)SC1CCCC1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(C=O)NC(=O)SC1CCCC1)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O4S2/c1-17(2,25-14-9-7-12(8-10-14)19(22)23)15(11-20)18-16(21)24-13-5-3-4-6-13/h7-11,13,15H,3-6H2,1-2H3,(H,18,21)