[1-methyl-2-oxidanylidene-3-(5-pentylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] N-(4-hexylphenyl)carbamate

Systemtic Name: [1-methyl-2-oxidanylidene-3-(5-pentylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] N-(4-hexylphenyl)carbamate Openeye Name: [1-methyl-2-oxo-3-(5-pentylsulfanyl-1,3,4-thiadiazol-2-yl)hexahydropyrimidin-4-yl] N-(4-hexylphenyl)carbamate CAS Name: N-(4-hexylphenyl)carbamic acid [1-methyl-2-oxo-3-[5-(pentylthio)-1,3,4-thiadiazol-2-yl]-1,3-diazinan-4-yl] ester IUPAC Name: [1-methyl-2-oxo-3-(5-pentylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] N-(4-hexylphenyl)carbamate Traditional Name: N-(4-hexylphenyl)carbamic acid [3-[5-(amylthio)-1,3,4-thiadiazol-2-yl]-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C25H37N5O3S2 MolecularWeight: 519.72298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC(=O)OC2CCN(C(=O)N2C3=NN=C(S3)SCCCCC)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC(=O)OC2CCN(C(=O)N2C3=NN=C(S3)SCCCCC)C

InChI

InChI=1S/C25H37N5O3S2/c1-4-6-8-9-11-19-12-14-20(15-13-19)26-23(31)33-21-16-17-29(3)25(32)30(21)22-27-28-24(35-22)34-18-10-7-5-2/h12-15,21H,4-11,16-18H2,1-3H3,(H,26,31)