3-azanyl-1-cyclohexyl-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-4-one

Systemtic Name: 3-azanyl-1-cyclohexyl-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 3-amino-1-cyclohexyl-5-[2-oxo-2-(2-thienyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 3-amino-1-cyclohexyl-5-(2-oxo-2-thiophen-2-ylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 3-amino-1-cyclohexyl-5-(2-oxo-2-thiophen-2-ylethyl)-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 3-amino-1-cyclohexyl-5-[2-keto-2-(2-thienyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-4-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(C(=O)N(C3=CC=CC=C32)CC(=O)C4=CC=CS4)N

Isomeric SMILES

C1CCC(CC1)N2CC(C(=O)N(C3=CC=CC=C32)CC(=O)C4=CC=CS4)N

InChI

InChI=1S/C21H25N3O2S/c22-16-13-23(15-7-2-1-3-8-15)17-9-4-5-10-18(17)24(21(16)26)14-19(25)20-11-6-12-27-20/h4-6,9-12,15-16H,1-3,7-8,13-14,22H2