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

Systemtic Name: 5-[(3,3-diphenylpropylamino)methylidene]-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-benzyl-5-[(3,3-diphenylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3,3-diphenylpropylamino)methylidene]-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-benzyl-5-[(3,3-diphenylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-benzyl-5-[(3,3-diphenylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=CNCCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=CNCCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC2=S

InChI

InChI=1S/C27H25N3O2S/c31-25-24(26(32)30(27(33)29-25)19-20-10-4-1-5-11-20)18-28-17-16-23(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18,23,28H,16-17,19H2,(H,29,31,33)