1-[(2,2-dimethyl-6-oxidanyl-chromen-4-yl)amino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[(2,2-dimethyl-6-oxidanyl-chromen-4-yl)amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(6-hydroxy-2,2-dimethyl-chromen-4-yl)amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[(6-hydroxy-2,2-dimethyl-1-benzopyran-4-yl)amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[(6-hydroxy-2,2-dimethylchromen-4-yl)amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(6-hydroxy-2,2-dimethyl-chromen-4-yl)amino]thiourea Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC2=CC(OC3=C2C=C(C=C3)O)(C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC2=CC(OC3=C2C=C(C=C3)O)(C)C)C

InChI

InChI=1S/C21H25N3O2S/c1-5-14-8-6-7-13(2)19(14)22-20(27)24-23-17-12-21(3,4)26-18-10-9-15(25)11-16(17)18/h6-12,23,25H,5H2,1-4H3,(H2,22,24,27)