1,3-bis(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)thiourea

Systemtic Name: 1,3-bis(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)thiourea Openeye Name: 1,3-bis(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)thiourea CAS Name: 1,3-bis(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)thiourea IUPAC Name: 1,3-bis(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)thiourea Traditional Name: 1,3-bis(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)thiourea Formula: C21H22N4O2S3 MolecularWeight: 458.61998

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)SC(=C2C#N)NC(=S)NC3=C(C4=C(S3)COC(C4)(C)C)C#N)C

Isomeric SMILES

CC1(CC2=C(CO1)SC(=C2C#N)NC(=S)NC3=C(C4=C(S3)COC(C4)(C)C)C#N)C

InChI

InChI=1S/C21H22N4O2S3/c1-20(2)5-11-13(7-22)17(29-15(11)9-26-20)24-19(28)25-18-14(8-23)12-6-21(3,4)27-10-16(12)30-18/h5-6,9-10H2,1-4H3,(H2,24,25,28)