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

Systemtic Name: 2-[[ethyl-[(3-propan-2-yl-2-sulfanylidene-benzimidazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[ethyl-[(3-isopropyl-2-thioxo-benzimidazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[ethyl-[(3-propan-2-yl-2-sulfanylidene-1-benzimidazolyl)methyl]amino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[ethyl-[(3-propan-2-yl-2-sulfanylidenebenzimidazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[ethyl-[(3-isopropyl-2-thioxo-benzimidazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C4=CC=CC=C4N(C3=S)C(C)C

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C4=CC=CC=C4N(C3=S)C(C)C

InChI

InChI=1S/C22H25N5OS/c1-4-25(13-20-23-17-10-6-5-9-16(17)21(28)24-20)14-26-18-11-7-8-12-19(18)27(15(2)3)22(26)29/h5-12,15H,4,13-14H2,1-3H3,(H,23,24,28)