2-azanyl-1-[4-([1]benzothiolo[2,3-c]pyridin-3-ylcarbonyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-azanyl-1-[4-([1]benzothiolo[2,3-c]pyridin-3-ylcarbonyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-amino-1-[4-(benzothiopheno[2,3-c]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-amino-1-[4-[[1]benzothiolo[2,3-c]pyridin-3-yl(oxo)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-amino-1-[4-([1]benzothiolo[2,3-c]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-amino-1-[4-(benzothiopheno[2,3-c]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NC=C3C(=C2)C4=CC=CC=C4S3)C(=O)CN

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NC=C3C(=C2)C4=CC=CC=C4S3)C(=O)CN

InChI

InChI=1S/C19H20N4O2S/c20-11-18(24)22-6-3-7-23(9-8-22)19(25)15-10-14-13-4-1-2-5-16(13)26-17(14)12-21-15/h1-2,4-5,10,12H,3,6-9,11,20H2