N-[2-chloranyl-5-[3-(2-oxidanylideneazepan-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-chloranyl-5-[3-(2-oxidanylideneazepan-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-chloro-5-[3-(2-oxoazepan-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-chloro-5-[oxo-[3-(2-oxo-1-azepanyl)propylamino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-chloro-5-[3-(2-oxoazepan-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-chloro-5-[3-(2-ketoazepan-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H24ClN3O3S/c22-16-9-8-15(14-17(16)24-21(28)18-6-4-13-29-18)20(27)23-10-5-12-25-11-3-1-2-7-19(25)26/h4,6,8-9,13-14H,1-3,5,7,10-12H2,(H,23,27)(H,24,28)