methyl 3-[[1-cyclopropyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate

Systemtic Name: methyl 3-[[1-cyclopropyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: methyl 3-[(1-cyclopropyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate CAS Name: 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic acid methyl ester IUPAC Name: methyl 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoate Traditional Name: 3-[(1-cyclopropyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid methyl ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC=C2C(=O)NC(=S)N(C2=O)C3CC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC=C2C(=O)NC(=S)N(C2=O)C3CC3

InChI

InChI=1S/C16H15N3O4S/c1-23-15(22)9-3-2-4-10(7-9)17-8-12-13(20)18-16(24)19(14(12)21)11-5-6-11/h2-4,7-8,11,17H,5-6H2,1H3,(H,18,20,24)