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

Systemtic Name: (3E)-3-hydroxyimino-1-[2-(3-methylthiophen-2-yl)-2-oxidanylidene-ethyl]-5-phenyl-1,4-benzodiazepin-2-one Openeye Name: (3E)-3-hydroxyimino-1-[2-(3-methyl-2-thienyl)-2-oxo-ethyl]-5-phenyl-1,4-benzodiazepin-2-one CAS Name: (3E)-3-hydroxyimino-1-[2-(3-methyl-2-thiophenyl)-2-oxoethyl]-5-phenyl-1,4-benzodiazepin-2-one IUPAC Name: (3E)-3-hydroxyimino-1-[2-(3-methylthiophen-2-yl)-2-oxoethyl]-5-phenyl-1,4-benzodiazepin-2-one Traditional Name: (3E)-3-hydroximino-1-[2-keto-2-(3-methyl-2-thienyl)ethyl]-5-phenyl-1,4-benzodiazepin-2-one Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)CN2C3=CC=CC=C3C(=NC(=NO)C2=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O3S/c1-14-11-12-29-20(14)18(26)13-25-17-10-6-5-9-16(17)19(15-7-3-2-4-8-15)23-21(24-28)22(25)27/h2-12,28H,13H2,1H3/b24-21+