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

Systemtic Name: 5-[[2-methyl-1-(phenylmethyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1-benzyl-2-methyl-indol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2-methyl-1-(phenylmethyl)-3-indolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1-benzyl-2-methylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1-benzyl-2-methyl-indol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C=C4C(=O)NC(=S)NC4=O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C=C4C(=O)NC(=S)NC4=O

InChI

InChI=1S/C21H17N3O2S/c1-13-16(11-17-19(25)22-21(27)23-20(17)26)15-9-5-6-10-18(15)24(13)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,22,23,25,26,27)