2,2-dimethyl-6-oxidanylidene-N'-phenyl-11-thiophen-2-yl-3,11-dihydro-1H-[2]benzothiepino[3,4-b]pyridine-4-carboximidamide

Systemtic Name: 2,2-dimethyl-6-oxidanylidene-N'-phenyl-11-thiophen-2-yl-3,11-dihydro-1H-[2]benzothiepino[3,4-b]pyridine-4-carboximidamide Openeye Name: 2,2-dimethyl-6-oxo-N'-phenyl-11-(2-thienyl)-3,11-dihydro-1H-[2]benzothiepino[3,4-b]pyridine-4-carboxamidine CAS Name: 2,2-dimethyl-6-oxo-N'-phenyl-11-thiophen-2-yl-3,11-dihydro-1H-[2]benzothiepino[3,4-b]pyridine-4-carboximidamide IUPAC Name: 2,2-dimethyl-6-oxo-N'-phenyl-11-thiophen-2-yl-3,11-dihydro-1H-[2]benzothiepino[3,4-b]pyridine-4-carboximidamide Traditional Name: 6-keto-2,2-dimethyl-N'-phenyl-11-(2-thienyl)-3,11-dihydro-1H-[2]benzothiepino[3,4-b]pyridine-4-carboxamidine Formula: C26H25N3OS2 MolecularWeight: 459.6262

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(N(C1)C(=NC3=CC=CC=C3)N)SC(=O)C4=CC=CC=C4C2C5=CC=CS5)C

Isomeric SMILES

CC1(CC2=C(N(C1)C(=NC3=CC=CC=C3)N)SC(=O)C4=CC=CC=C4C2C5=CC=CS5)C

InChI

InChI=1S/C26H25N3OS2/c1-26(2)15-20-22(21-13-8-14-31-21)18-11-6-7-12-19(18)24(30)32-23(20)29(16-26)25(27)28-17-9-4-3-5-10-17/h3-14,22H,15-16H2,1-2H3,(H2,27,28)