1-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridin-4-yl)carbonylamino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridin-4-yl)carbonylamino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carbonyl)amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[[[3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinyl]-oxomethyl]amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-[[3-cyano-6-cyclopropyl-2-(methylthio)isonicotinoyl]amino]-3-homoveratryl-thiourea Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3)OC

InChI

InChI=1S/C22H25N5O3S2/c1-29-18-7-4-13(10-19(18)30-2)8-9-24-22(31)27-26-20(28)15-11-17(14-5-6-14)25-21(32-3)16(15)12-23/h4,7,10-11,14H,5-6,8-9H2,1-3H3,(H,26,28)(H2,24,27,31)