4-oxidanylidene-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C23H23N5O2S MolecularWeight: 433.52602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)SCCC(=O)N5

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)SCCC(=O)N5

InChI

InChI=1S/C23H23N5O2S/c29-21-11-13-31-19-10-7-16(14-18(19)25-21)23(30)24-17-8-5-15(6-9-17)22-27-26-20-4-2-1-3-12-28(20)22/h5-10,14H,1-4,11-13H2,(H,24,30)(H,25,29)