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

Systemtic Name: 3-azanyl-1-[2-(3-methylthiophen-2-yl)-2-oxidanylidene-ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-1-[2-(3-methyl-2-thienyl)-2-oxo-ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-1-[2-(3-methyl-2-thiophenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-1-[2-(3-methylthiophen-2-yl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-1-[2-keto-2-(3-methyl-2-thienyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC=C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S/c1-14-11-12-28-20(14)18(26)13-25-17-10-6-5-9-16(17)19(24-21(23)22(25)27)15-7-3-2-4-8-15/h2-12,21H,13,23H2,1H3