1-[3-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl]thiourea

Systemtic Name: 1-[3-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl]thiourea Openeye Name: [3-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]thiourea CAS Name: [3-[[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]phenyl]thiourea IUPAC Name: [3-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbonyl]phenyl]thiourea Traditional Name: [3-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]thiourea Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)NC(=S)N

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)NC(=S)N

InChI

InChI=1S/C20H25N5OS/c1-15-5-2-8-18(22-15)14-24-9-4-10-25(12-11-24)19(26)16-6-3-7-17(13-16)23-20(21)27/h2-3,5-8,13H,4,9-12,14H2,1H3,(H3,21,23,27)