1-[[4-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]phenyl]methyl]-3-propan-2-yl-urea

Systemtic Name: 1-[[4-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]phenyl]methyl]-3-propan-2-yl-urea Openeye Name: 1-isopropyl-3-[[4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)phenyl]methyl]urea CAS Name: 1-[[4-[(4-methylsulfonyl-1,4-diazepan-1-yl)-oxomethyl]phenyl]methyl]-3-propan-2-ylurea IUPAC Name: 1-[[4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-[4-(4-mesyl-1,4-diazepane-1-carbonyl)benzyl]urea Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C18H28N4O4S/c1-14(2)20-18(24)19-13-15-5-7-16(8-6-15)17(23)21-9-4-10-22(12-11-21)27(3,25)26/h5-8,14H,4,9-13H2,1-3H3,(H2,19,20,24)