N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenyl-thiophene-2-carboxamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenyl-thiophene-2-carboxamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenyl-thiophene-2-carboxamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenyl-2-thiophenecarboxamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenylthiophene-2-carboxamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenyl-thiophene-2-carboxamide Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3=C(C=CS3)C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3=C(C=CS3)C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C21H18ClNO3S/c22-17-11-14(12-18-19(17)26-9-4-8-25-18)13-23-21(24)20-16(7-10-27-20)15-5-2-1-3-6-15/h1-3,5-7,10-12H,4,8-9,13H2,(H,23,24)