1-(phenylmethyl)-5-[(1-propylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(phenylmethyl)-5-[(1-propylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-benzyl-5-[(1-propylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(phenylmethyl)-5-[(1-propyl-3-indolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-benzyl-5-[(1-propylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-benzyl-5-[(1-propylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c1-2-12-25-15-17(18-10-6-7-11-20(18)25)13-19-21(27)24-23(29)26(22(19)28)14-16-8-4-3-5-9-16/h3-11,13,15H,2,12,14H2,1H3,(H,24,27,29)