5-(1H-indol-3-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(1H-indol-3-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-(1H-indol-3-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(1H-indol-3-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(1H-indol-3-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-(1H-indol-3-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CNC3=CC=CC=C32)C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)C(=CC2=CNC3=CC=CC=C32)C(=O)NC1=S

InChI

InChI=1S/C16H13N3O2S/c1-2-7-19-15(21)12(14(20)18-16(19)22)8-10-9-17-13-6-4-3-5-11(10)13/h2-6,8-9,17H,1,7H2,(H,18,20,22)