1-[(6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophen-1-yl)carbonylamino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

Systemtic Name: 1-[(6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophen-1-yl)carbonylamino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Openeye Name: 1-[(6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonyl)amino]-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea CAS Name: 1-[[[6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophen-1-yl]-oxomethyl]amino]-3-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]urea IUPAC Name: 1-[(6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonyl)amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Traditional Name: 1-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-3-[[4-keto-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophene-1-carbonyl]amino]urea Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NNC(=O)C2=C3CC(CC(=O)C3=C(S2)SC)(C)C

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NNC(=O)C2=C3CC(CC(=O)C3=C(S2)SC)(C)C

InChI

InChI=1S/C25H31N3O3S2/c1-14(2)15-9-8-10-16(11-15)25(5,6)26-23(31)28-27-21(30)20-17-12-24(3,4)13-18(29)19(17)22(32-7)33-20/h8-11H,1,12-13H2,2-7H3,(H,27,30)(H2,26,28,31)