S-(2-butylsulfanyl-6-methyl-pyrimidin-4-yl) N-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioate

Systemtic Name: S-(2-butylsulfanyl-6-methyl-pyrimidin-4-yl) N-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioate Openeye Name: S-(2-butylsulfanyl-6-methyl-pyrimidin-4-yl) N-[(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioate CAS Name: N-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]carbamothioic acid S-[[2-(butylthio)-6-methyl-4-pyrimidinyl]] ester IUPAC Name: S-(2-butylsulfanyl-6-methylpyrimidin-4-yl) N-[(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioate Traditional Name: N-[(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]thiocarbamic acid S-[2-(butylthio)-6-methyl-pyrimidin-4-yl] ester Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=CC(=N1)SC(=O)NNC=C2C=CC=C(C2=O)OC)C

Isomeric SMILES

CCCCSC1=NC(=CC(=N1)SC(=O)NNC=C2C=CC=C(C2=O)OC)C

InChI

InChI=1S/C18H22N4O3S2/c1-4-5-9-26-17-20-12(2)10-15(21-17)27-18(24)22-19-11-13-7-6-8-14(25-3)16(13)23/h6-8,10-11,19H,4-5,9H2,1-3H3,(H,22,24)