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

Systemtic Name: 1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-1-prop-2-enyl-thiourea Openeye Name: 1-allyl-1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)thiourea CAS Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-1-prop-2-enylthiourea IUPAC Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-prop-2-enylthiourea Traditional Name: 1-allyl-1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)thiourea Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S/c1-4-7-19(15(18)22)13-11-8-10(9-17)5-6-12(11)21-16(2,3)14(13)20/h4-6,8,13-14,20H,1,7H2,2-3H3,(H2,18,22)