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

Systemtic Name: 4-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one Openeye Name: 4-[2-oxo-2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one CAS Name: 4-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one Traditional Name: 4-[2-keto-2-[4-(2-thenyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C(=O)COC3=CC=CC=C32)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C(=O)COC3=CC=CC=C32)CC4=CC=CS4

InChI

InChI=1S/C20H23N3O3S/c24-19(14-23-17-6-1-2-7-18(17)26-15-20(23)25)22-9-4-8-21(10-11-22)13-16-5-3-12-27-16/h1-3,5-7,12H,4,8-11,13-15H2