3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea

Systemtic Name: 3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea Openeye Name: 3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea CAS Name: 3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-1-methyl-1-[[4-(methylthio)phenyl]methyl]urea IUPAC Name: 3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea Traditional Name: 3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-1-methyl-1-[4-(methylthio)benzyl]urea Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)N(C)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)N(C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H30N2O3S/c1-16(2)22(18-8-11-20-21(14-18)28-13-5-12-27-20)24-23(26)25(3)15-17-6-9-19(29-4)10-7-17/h6-11,14,16,22H,5,12-13,15H2,1-4H3,(H,24,26)