N-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]thiophene-2-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]thiophene-2-carboxamide Openeye Name: N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxo-propyl]thiophene-2-carboxamide CAS Name: N-[3-oxo-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]thiophene-2-carboxamide Traditional Name: N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-keto-propyl]thiophene-2-carboxamide Formula: C20H25N3O2S MolecularWeight: 371.4964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCNC(=O)C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCNC(=O)C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S/c24-19(9-10-21-20(25)18-8-4-15-26-18)23-12-5-11-22(13-14-23)16-17-6-2-1-3-7-17/h1-4,6-8,15H,5,9-14,16H2,(H,21,25)