5-chloranyl-N-[4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)phenyl]thiophene-2-carboxamide

Systemtic Name: 5-chloranyl-N-[4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)phenyl]thiophene-2-carboxamide Openeye Name: 5-chloro-N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[4-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]phenyl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]thiophene-2-carboxamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)C3=CC=C(C=C3)NC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)C3=CC=C(C=C3)NC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H22ClN3O2S/c21-18-9-8-17(27-18)19(25)22-15-4-6-16(7-5-15)23-10-1-11-24(13-12-23)20(26)14-2-3-14/h4-9,14H,1-3,10-13H2,(H,22,25)