1-[[3-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]phenyl]carbonylamino]-3-propan-2-yl-urea

Systemtic Name: 1-[[3-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]phenyl]carbonylamino]-3-propan-2-yl-urea Openeye Name: 1-[[3-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]benzoyl]amino]-3-isopropyl-urea CAS Name: 1-[[[3-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]phenyl]-oxomethyl]amino]-3-propan-2-ylurea IUPAC Name: 1-[[3-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]benzoyl]amino]-3-propan-2-ylurea Traditional Name: 1-[[3-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]benzoyl]amino]-3-isopropyl-urea Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NNC(=O)C1=CC(=CC=C1)COC2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(C)NC(=O)NNC(=O)C1=CC(=CC=C1)COC2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C21H25N3O3S2/c1-14(2)22-21(26)24-23-19(25)17-5-3-4-15(12-17)13-27-18-8-6-16(7-9-18)20-28-10-11-29-20/h3-9,12,14,20H,10-11,13H2,1-2H3,(H,23,25)(H2,22,24,26)