2-[5-(4-methoxyphenyl)-2-oxidanylidene-3H-thieno[2,3-e][1,4]diazepin-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[5-(4-methoxyphenyl)-2-oxidanylidene-3H-thieno[2,3-e][1,4]diazepin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[5-(4-methoxyphenyl)-2-oxo-3H-thieno[2,3-e][1,4]diazepin-1-yl]-N-phenyl-acetamide CAS Name: 2-[5-(4-methoxyphenyl)-2-oxo-3H-thieno[2,3-e][1,4]diazepin-1-yl]-N-phenylacetamide IUPAC Name: 2-[5-(4-methoxyphenyl)-2-oxo-3H-thieno[2,3-e][1,4]diazepin-1-yl]-N-phenylacetamide Traditional Name: 2-[2-keto-5-(4-methoxyphenyl)-3H-thieno[2,3-e][1,4]diazepin-1-yl]-N-phenyl-acetamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NCC(=O)N(C3=C2C=CS3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NCC(=O)N(C3=C2C=CS3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-28-17-9-7-15(8-10-17)21-18-11-12-29-22(18)25(20(27)13-23-21)14-19(26)24-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,24,26)