N-[2-chloranyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-chloranyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide Openeye Name: N-[2-chloro-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide CAS Name: N-[2-chloro-5-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-chloro-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide Traditional Name: N-[2-chloro-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4)OC1

InChI

InChI=1S/C21H17ClN2O4S/c22-15-6-4-13(11-16(15)24-21(26)19-3-1-10-29-19)20(25)23-14-5-7-17-18(12-14)28-9-2-8-27-17/h1,3-7,10-12H,2,8-9H2,(H,23,25)(H,24,26)