S-[2-[2-[(4-methyl-3-oxidanylidene-pent-4-enyl)carbamoylsulfanyl]ethylsulfonyl]ethyl] N-(4-methyl-3-oxidanylidene-pent-4-enyl)carbamothioate

Systemtic Name: S-[2-[2-[(4-methyl-3-oxidanylidene-pent-4-enyl)carbamoylsulfanyl]ethylsulfonyl]ethyl] N-(4-methyl-3-oxidanylidene-pent-4-enyl)carbamothioate Openeye Name: S-[2-[2-[(4-methyl-3-oxo-pent-4-enyl)carbamoylsulfanyl]ethylsulfonyl]ethyl] N-(4-methyl-3-oxo-pent-4-enyl)carbamothioate CAS Name: N-(4-methyl-3-oxopent-4-enyl)carbamothioic acid S-[2-[2-[[[(4-methyl-3-oxopent-4-enyl)amino]-oxomethyl]thio]ethylsulfonyl]ethyl] ester IUPAC Name: S-[2-[2-[(4-methyl-3-oxopent-4-enyl)carbamoylsulfanyl]ethylsulfonyl]ethyl] N-(4-methyl-3-oxopent-4-enyl)carbamothioate Traditional Name: N-(3-keto-4-methyl-pent-4-enyl)thiocarbamic acid S-[2-[2-[(3-keto-4-methyl-pent-4-enyl)carbamoylthio]ethylsulfonyl]ethyl] ester Formula: C18H28N2O6S3 MolecularWeight: 464.61972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)CCNC(=O)SCCS(=O)(=O)CCSC(=O)NCCC(=O)C(=C)C

Isomeric SMILES

CC(=C)C(=O)CCNC(=O)SCCS(=O)(=O)CCSC(=O)NCCC(=O)C(=C)C

InChI

InChI=1S/C18H28N2O6S3/c1-13(2)15(21)5-7-19-17(23)27-9-11-29(25,26)12-10-28-18(24)20-8-6-16(22)14(3)4/h1,3,5-12H2,2,4H3,(H,19,23)(H,20,24)