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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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