4-oxidanylidene-N-[2-(pyrazin-2-ylamino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[2-(pyrazin-2-ylamino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[2-(pyrazin-2-ylamino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[2-(2-pyrazinylamino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[2-(pyrazin-2-ylamino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-(pyrazin-2-ylamino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCCNC3=NC=CN=C3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCCNC3=NC=CN=C3)NC1=O

InChI

InChI=1S/C16H17N5O2S/c22-15-3-8-24-13-2-1-11(9-12(13)21-15)16(23)20-7-6-19-14-10-17-4-5-18-14/h1-2,4-5,9-10H,3,6-8H2,(H,18,19)(H,20,23)(H,21,22)