5-azanyl-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxamide

Systemtic Name: 5-azanyl-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxamide Openeye Name: 5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxamide CAS Name: 5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3,4,5-tetrahydro-1-benzothiepin-8-carboxamide IUPAC Name: 5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxamide Traditional Name: 5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3,4,5-tetrahydro-1-benzothiepin-8-carboxamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C=C(C=C2)C(=O)NC3=C4C=CNC4=NC=C3)SC1)N

Isomeric SMILES

C1CC(C2=C(C=C(C=C2)C(=O)NC3=C4C=CNC4=NC=C3)SC1)N

InChI

InChI=1S/C18H18N4OS/c19-14-2-1-9-24-16-10-11(3-4-12(14)16)18(23)22-15-6-8-21-17-13(15)5-7-20-17/h3-8,10,14H,1-2,9,19H2,(H2,20,21,22,23)