5-[[(3,4-dipropoxyphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[(3,4-dipropoxyphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3,4-dipropoxyanilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3,4-dipropoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3,4-dipropoxyanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(3,4-dipropoxyanilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC=C2C(=O)NC(=S)NC2=O)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC=C2C(=O)NC(=S)NC2=O)OCCC

InChI

InChI=1S/C17H21N3O4S/c1-3-7-23-13-6-5-11(9-14(13)24-8-4-2)18-10-12-15(21)19-17(25)20-16(12)22/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H2,19,20,21,22,25)