3,4-bis(chloranyl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylcarbonyl)phenyl]benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylcarbonyl)phenyl]benzamide Openeye Name: 3,4-dichloro-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]benzamide CAS Name: 3,4-dichloro-N-[4-[oxo(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methyl]phenyl]benzamide IUPAC Name: 3,4-dichloro-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]benzamide Traditional Name: 3,4-dichloro-N-[4-(5,6,7,8-tetrahydrothien[3,2-b]azepine-4-carbonyl)phenyl]benzamide Formula: C22H18Cl2N2O2S MolecularWeight: 445.36152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=C(C1)SC=C2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(C2=C(C1)SC=C2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H18Cl2N2O2S/c23-17-9-6-15(13-18(17)24)21(27)25-16-7-4-14(5-8-16)22(28)26-11-2-1-3-20-19(26)10-12-29-20/h4-10,12-13H,1-3,11H2,(H,25,27)