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

Systemtic Name: 1-(phenylmethyl)-5-[[(4-propan-2-ylphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-benzyl-5-[(4-isopropylanilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(phenylmethyl)-5-[(4-propan-2-ylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-benzyl-5-[(4-propan-2-ylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-benzyl-5-(cumidinomethylene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)N(C2=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)N(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-14(2)16-8-10-17(11-9-16)22-12-18-19(25)23-21(27)24(20(18)26)13-15-6-4-3-5-7-15/h3-12,14,22H,13H2,1-2H3,(H,23,25,27)