3-azanyl-5-cyclohexyl-1-[(2-ethanoylthiophen-3-yl)methyl]-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-5-cyclohexyl-1-[(2-ethanoylthiophen-3-yl)methyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 1-[(2-acetyl-3-thienyl)methyl]-3-amino-5-cyclohexyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-[(2-acetyl-3-thiophenyl)methyl]-3-amino-5-cyclohexyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-[(2-acetylthiophen-3-yl)methyl]-3-amino-5-cyclohexyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-[(2-acetyl-3-thienyl)methyl]-3-amino-5-cyclohexyl-3H-1,4-benzodiazepin-2-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CS1)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4CCCCC4

Isomeric SMILES

CC(=O)C1=C(C=CS1)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4CCCCC4

InChI

InChI=1S/C22H25N3O2S/c1-14(26)20-16(11-12-28-20)13-25-18-10-6-5-9-17(18)19(24-21(23)22(25)27)15-7-3-2-4-8-15/h5-6,9-12,15,21H,2-4,7-8,13,23H2,1H3