1-(6-cyano-2,2-dimethyl-4-oxidanyl-3,4-dihydrochromen-3-yl)-1-propan-2-yl-thiourea

Systemtic Name: 1-(6-cyano-2,2-dimethyl-4-oxidanyl-3,4-dihydrochromen-3-yl)-1-propan-2-yl-thiourea Openeye Name: 1-(6-cyano-4-hydroxy-2,2-dimethyl-chroman-3-yl)-1-isopropyl-thiourea CAS Name: 1-(6-cyano-4-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl)-1-propan-2-ylthiourea IUPAC Name: 1-(6-cyano-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)-1-propan-2-ylthiourea Traditional Name: 1-(6-cyano-4-hydroxy-2,2-dimethyl-chroman-3-yl)-1-isopropyl-thiourea Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1C(C2=C(C=CC(=C2)C#N)OC1(C)C)O)C(=S)N

Isomeric SMILES

CC(C)N(C1C(C2=C(C=CC(=C2)C#N)OC1(C)C)O)C(=S)N

InChI

InChI=1S/C16H21N3O2S/c1-9(2)19(15(18)22)14-13(20)11-7-10(8-17)5-6-12(11)21-16(14,3)4/h5-7,9,13-14,20H,1-4H3,(H2,18,22)