4-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one

Systemtic Name: 4-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one Openeye Name: 4-[2-oxo-2-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one CAS Name: 4-[2-oxo-2-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[2-oxo-2-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one Traditional Name: 4-[2-keto-2-[4-(3-thenyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C(=O)CSC3=CC=CC=C32)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C(=O)CSC3=CC=CC=C32)CC4=CSC=C4

InChI

InChI=1S/C20H23N3O2S2/c24-19(13-23-17-4-1-2-5-18(17)27-15-20(23)25)22-8-3-7-21(9-10-22)12-16-6-11-26-14-16/h1-2,4-6,11,14H,3,7-10,12-13,15H2