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

Systemtic Name: [1-methyl-2-oxidanylidene-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] N-(4-butylphenyl)carbamate Openeye Name: [1-methyl-2-oxo-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)hexahydropyrimidin-4-yl] N-(4-butylphenyl)carbamate CAS Name: N-(4-butylphenyl)carbamic acid [1-methyl-2-oxo-3-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-1,3-diazinan-4-yl] ester IUPAC Name: [1-methyl-2-oxo-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] N-(4-butylphenyl)carbamate Traditional Name: N-(4-butylphenyl)carbamic acid [2-keto-1-methyl-3-[5-(propylthio)-1,3,4-thiadiazol-2-yl]hexahydropyrimidin-4-yl] ester Formula: C21H29N5O3S2 MolecularWeight: 463.61666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)OC2CCN(C(=O)N2C3=NN=C(S3)SCCC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)OC2CCN(C(=O)N2C3=NN=C(S3)SCCC)C

InChI

InChI=1S/C21H29N5O3S2/c1-4-6-7-15-8-10-16(11-9-15)22-19(27)29-17-12-13-25(3)21(28)26(17)18-23-24-20(31-18)30-14-5-2/h8-11,17H,4-7,12-14H2,1-3H3,(H,22,27)