[4-(phenylmethyl)-1,4-diazepan-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(3-phenyl-2-thioxo-1H-imidazol-4-yl)methanone CAS Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(3-phenyl-2-thioxo-4-imidazolin-4-yl)methanone Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CNC(=S)N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CNC(=S)N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c27-21(20-16-23-22(28)26(20)19-10-5-2-6-11-19)25-13-7-12-24(14-15-25)17-18-8-3-1-4-9-18/h1-6,8-11,16H,7,12-15,17H2,(H,23,28)