1-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-phenyl-thiourea

Systemtic Name: 1-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-phenyl-thiourea Openeye Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-phenyl-thiourea CAS Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-phenylthiourea IUPAC Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-phenylthiourea Traditional Name: 1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-phenyl-thiourea Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=S)NC3=CC=CC=C3)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)NC(=S)NC3=CC=CC=C3)O)C

InChI

InChI=1S/C19H19N3O2S/c1-19(2)17(23)16(14-10-12(11-20)8-9-15(14)24-19)22-18(25)21-13-6-4-3-5-7-13/h3-10,16-17,23H,1-2H3,(H2,21,22,25)/t16-,17+/m1/s1