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

Systemtic Name: 3-azanyl-1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-1-[2-oxo-2-(2-thienyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-1-(2-oxo-2-thiophen-2-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-1-(2-oxo-2-thiophen-2-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-1-[2-keto-2-(2-thienyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)C4=CC=CS4)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)C4=CC=CS4)N

InChI

InChI=1S/C21H17N3O2S/c22-20-21(26)24(13-17(25)18-11-6-12-27-18)16-10-5-4-9-15(16)19(23-20)14-7-2-1-3-8-14/h1-12,20H,13,22H2