(2-iodanyl-3-methyl-phenyl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-iodanyl-3-methyl-phenyl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-iodo-3-methyl-phenyl)-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-iodo-3-methylphenyl)-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-iodo-3-methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-iodo-3-methyl-phenyl)-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Formula: C17H20IN3OS MolecularWeight: 441.32967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC3=NC=CS3

Isomeric SMILES

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC3=NC=CS3

InChI

InChI=1S/C17H20IN3OS/c1-13-4-2-5-14(16(13)18)17(22)21-8-3-7-20(9-10-21)12-15-19-6-11-23-15/h2,4-6,11H,3,7-10,12H2,1H3