6-(5-chloranylthiophen-2-yl)-N-cyclohexyl-pyrazino[2,3-b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-(5-chloranylthiophen-2-yl)-N-cyclohexyl-pyrazino[2,3-b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(5-chloro-2-thienyl)-N-cyclohexyl-pyrazino[2,3-b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(5-chloro-2-thiophenyl)-N-cyclohexyl-3-pyrazino[2,3-b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-(5-chlorothiophen-2-yl)-N-cyclohexylpyrazino[2,3-b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-(5-chloro-2-thienyl)-N-cyclohexyl-pyrazino[2,3-b][1,4]benzothiazepine-3-carboxamide Formula: C22H19ClN4OS2 MolecularWeight: 454.99546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CN=C3C(=N2)N=C(C4=CC=CC=C4S3)C5=CC=C(S5)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CN=C3C(=N2)N=C(C4=CC=CC=C4S3)C5=CC=C(S5)Cl

InChI

InChI=1S/C22H19ClN4OS2/c23-18-11-10-17(29-18)19-14-8-4-5-9-16(14)30-22-20(27-19)26-15(12-24-22)21(28)25-13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2,(H,25,28)