[3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-2-oxidanylidene-1-prop-2-ynyl-1,3-diazinan-4-yl] N-(4-bromanyl-2-methyl-phenyl)carbamate

Systemtic Name: [3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-2-oxidanylidene-1-prop-2-ynyl-1,3-diazinan-4-yl] N-(4-bromanyl-2-methyl-phenyl)carbamate Openeye Name: [3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-prop-2-ynyl-hexahydropyrimidin-4-yl] N-(4-bromo-2-methyl-phenyl)carbamate CAS Name: N-(4-bromo-2-methylphenyl)carbamic acid [3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-prop-2-ynyl-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-prop-2-ynyl-1,3-diazinan-4-yl] N-(4-bromo-2-methylphenyl)carbamate Traditional Name: N-(4-bromo-2-methyl-phenyl)carbamic acid [2-keto-3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-1-propargyl-hexahydropyrimidin-4-yl] ester Formula: C18H18BrN5O4S2 MolecularWeight: 512.40062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)OC2CCN(C(=O)N2C3=NN=C(S3)S(=O)C)CC#C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)OC2CCN(C(=O)N2C3=NN=C(S3)S(=O)C)CC#C

InChI

InChI=1S/C18H18BrN5O4S2/c1-4-8-23-9-7-14(24(18(23)26)15-21-22-17(29-15)30(3)27)28-16(25)20-13-6-5-12(19)10-11(13)2/h1,5-6,10,14H,7-9H2,2-3H3,(H,20,25)