2-[5-(4-methoxyphenyl)-2-oxidanylidene-6,7,8,9-tetrahydro-3H-[1]benzothiolo[2,3-e][1,4]diazepin-1-yl]-N-(1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[5-(4-methoxyphenyl)-2-oxidanylidene-6,7,8,9-tetrahydro-3H-[1]benzothiolo[2,3-e][1,4]diazepin-1-yl]-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[5-(4-methoxyphenyl)-2-oxo-6,7,8,9-tetrahydro-3H-benzothiopheno[2,3-e][1,4]diazepin-1-yl]-N-thiazol-2-yl-acetamide CAS Name: 2-[5-(4-methoxyphenyl)-2-oxo-6,7,8,9-tetrahydro-3H-[1]benzothiolo[2,3-e][1,4]diazepin-1-yl]-N-(2-thiazolyl)acetamide IUPAC Name: 2-[5-(4-methoxyphenyl)-2-oxo-6,7,8,9-tetrahydro-3H-[1]benzothiolo[2,3-e][1,4]diazepin-1-yl]-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-[2-keto-5-(4-methoxyphenyl)-6,7,8,9-tetrahydro-3H-benzothiopheno[2,3-e][1,4]diazepin-1-yl]-N-thiazol-2-yl-acetamide Formula: C23H22N4O3S2 MolecularWeight: 466.57578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NCC(=O)N(C3=C2C4=C(S3)CCCC4)CC(=O)NC5=NC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NCC(=O)N(C3=C2C4=C(S3)CCCC4)CC(=O)NC5=NC=CS5

InChI

InChI=1S/C23H22N4O3S2/c1-30-15-8-6-14(7-9-15)21-20-16-4-2-3-5-17(16)32-22(20)27(19(29)12-25-21)13-18(28)26-23-24-10-11-31-23/h6-11H,2-5,12-13H2,1H3,(H,24,26,28)