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

Systemtic Name: (2-iodanyl-3-methyl-phenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (2-iodo-3-methyl-phenyl)-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (2-iodo-3-methylphenyl)-[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (2-iodo-3-methylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (2-iodo-3-methyl-phenyl)-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone Formula: C18H22IN3OS MolecularWeight: 455.35625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC3=CSC(=N3)C

Isomeric SMILES

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC3=CSC(=N3)C

InChI

InChI=1S/C18H22IN3OS/c1-13-5-3-6-16(17(13)19)18(23)22-8-4-7-21(9-10-22)11-15-12-24-14(2)20-15/h3,5-6,12H,4,7-11H2,1-2H3