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

Systemtic Name: N-(2-iodanylphenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(2-iodophenyl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-iodophenyl)-4-(2-thiazolylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-iodophenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-iodophenyl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carboxamide Formula: C16H19IN4OS MolecularWeight: 442.31773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2I)CC3=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2I)CC3=NC=CS3

InChI

InChI=1S/C16H19IN4OS/c17-13-4-1-2-5-14(13)19-16(22)21-8-3-7-20(9-10-21)12-15-18-6-11-23-15/h1-2,4-6,11H,3,7-10,12H2,(H,19,22)