5-[2-(4-tert-butylphenyl)sulfanylethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: 5-[2-(4-tert-butylphenyl)sulfanylethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 5-[2-(4-tert-butylphenyl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 5-[2-[(4-tert-butylphenyl)thio]-1-oxoethyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 5-[2-(4-tert-butylphenyl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-[2-[(4-tert-butylphenyl)thio]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H26N2O2S/c1-15-13-20(25)23-18-7-5-6-8-19(18)24(15)21(26)14-27-17-11-9-16(10-12-17)22(2,3)4/h5-12,15H,13-14H2,1-4H3,(H,23,25)