N-(2-iodanylphenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-iodanylphenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(2-iodophenyl)-4-(3-thienylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-iodophenyl)-4-(3-thiophenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-iodophenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-iodophenyl)-4-(3-thenyl)-1,4-diazepane-1-carboxamide Formula: C17H20IN3OS MolecularWeight: 441.32967

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2I)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2I)CC3=CSC=C3

InChI

InChI=1S/C17H20IN3OS/c18-15-4-1-2-5-16(15)19-17(22)21-8-3-7-20(9-10-21)12-14-6-11-23-13-14/h1-2,4-6,11,13H,3,7-10,12H2,(H,19,22)