1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-thiophen-2-yl-6,7,8,9-tetrahydro-3H-[1]benzothiolo[2,3-e][1,4]diazepin-2-one

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-thiophen-2-yl-6,7,8,9-tetrahydro-3H-[1]benzothiolo[2,3-e][1,4]diazepin-2-one Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]-5-(2-thienyl)-6,7,8,9-tetrahydro-3H-benzothiopheno[2,3-e][1,4]diazepin-2-one CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-5-thiophen-2-yl-6,7,8,9-tetrahydro-3H-[1]benzothiolo[2,3-e][1,4]diazepin-2-one IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]-5-thiophen-2-yl-6,7,8,9-tetrahydro-3H-[1]benzothiolo[2,3-e][1,4]diazepin-2-one Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]-5-(2-thienyl)-6,7,8,9-tetrahydro-3H-benzothiopheno[2,3-e][1,4]diazepin-2-one Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)CN=C(C3=C2SC4=C3CCCC4)C5=CC=CS5

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)CN=C(C3=C2SC4=C3CCCC4)C5=CC=CS5

InChI

InChI=1S/C23H27N3O2S2/c27-19-14-24-22(18-10-7-13-29-18)21-16-8-3-4-9-17(16)30-23(21)26(19)15-20(28)25-11-5-1-2-6-12-25/h7,10,13H,1-6,8-9,11-12,14-15H2