2-[[ethyl-[(3-ethyl-2-sulfanylidene-benzimidazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[ethyl-[(3-ethyl-2-sulfanylidene-benzimidazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[ethyl-[(3-ethyl-2-thioxo-benzimidazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[ethyl-[(3-ethyl-2-sulfanylidene-1-benzimidazolyl)methyl]amino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[ethyl-[(3-ethyl-2-sulfanylidenebenzimidazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[ethyl-[(3-ethyl-2-thioxo-benzimidazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=S)CN(CC)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=S)CN(CC)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H23N5OS/c1-3-24(13-19-22-16-10-6-5-9-15(16)20(27)23-19)14-26-18-12-8-7-11-17(18)25(4-2)21(26)28/h5-12H,3-4,13-14H2,1-2H3,(H,22,23,27)