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

Systemtic Name: 1-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)thiourea CAS Name: 1-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)thiourea Traditional Name: 1-benzyl-3-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)thiourea Formula: C18H19N3OS2 MolecularWeight: 357.49296

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)SC(=C2C#N)NC(=S)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC2=C(CO1)SC(=C2C#N)NC(=S)NCC3=CC=CC=C3)C

InChI

InChI=1S/C18H19N3OS2/c1-18(2)8-13-14(9-19)16(24-15(13)11-22-18)21-17(23)20-10-12-6-4-3-5-7-12/h3-7H,8,10-11H2,1-2H3,(H2,20,21,23)