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

Systemtic Name: 1-[2-(3-methylthiophen-2-yl)-2-oxidanylidene-ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-[2-(3-methyl-2-thienyl)-2-oxo-ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-[2-(3-methyl-2-thiophenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-[2-(3-methylthiophen-2-yl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-[2-keto-2-(3-methyl-2-thienyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)CN2C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC=C1)C(=O)CN2C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O2S/c1-15-11-12-27-22(15)19(25)14-24-18-10-6-5-9-17(18)21(23-13-20(24)26)16-7-3-2-4-8-16/h2-12H,13-14H2,1H3