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

Systemtic Name: 4-azanyl-1-[4-([1]benzothiolo[2,3-c]pyridin-3-ylcarbonyl)-1,4-diazepan-1-yl]butan-1-one Openeye Name: 4-amino-1-[4-(benzothiopheno[2,3-c]pyridine-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 4-amino-1-[4-[[1]benzothiolo[2,3-c]pyridin-3-yl(oxo)methyl]-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 4-amino-1-[4-([1]benzothiolo[2,3-c]pyridine-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one Traditional Name: 4-amino-1-[4-(benzothiopheno[2,3-c]pyridine-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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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)CCCN

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c22-8-3-7-20(26)24-9-4-10-25(12-11-24)21(27)17-13-16-15-5-1-2-6-18(15)28-19(16)14-23-17/h1-2,5-6,13-14H,3-4,7-12,22H2