1-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[(5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[(3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]-3-(4-morpholinosulfonylphenyl)thiourea Formula: C19H26N4O4S2 MolecularWeight: 438.56414

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C19H26N4O4S2/c1-19(2)12-15(11-16(24)13-19)21-22-18(28)20-14-3-5-17(6-4-14)29(25,26)23-7-9-27-10-8-23/h3-6,11,21H,7-10,12-13H2,1-2H3,(H2,20,22,28)