5-(butylaminomethylidene)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(butylaminomethylidene)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(butylaminomethylene)-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(butylaminomethylidene)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(butylaminomethylidene)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(butylaminomethylene)-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC=C1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCNC=C1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2C

InChI

InChI=1S/C16H19N3O2S/c1-3-4-9-17-10-12-14(20)18-16(22)19(15(12)21)13-8-6-5-7-11(13)2/h5-8,10,17H,3-4,9H2,1-2H3,(H,18,20,22)