1-[[6-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-yl]carbonylamino]-1-prop-2-enyl-thiourea

Systemtic Name: 1-[[6-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-yl]carbonylamino]-1-prop-2-enyl-thiourea Openeye Name: 1-allyl-1-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]thiourea CAS Name: 1-[[oxo-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]methyl]amino]-1-prop-2-enylthiourea IUPAC Name: 1-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]-1-prop-2-enylthiourea Traditional Name: 1-allyl-1-[[6-keto-1-[3-(trifluoromethyl)benzyl]nicotinoyl]amino]thiourea Formula: C18H17F3N4O2S MolecularWeight: 410.41339

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C(=S)N)NC(=O)C1=CN(C(=O)C=C1)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C=CCN(C(=S)N)NC(=O)C1=CN(C(=O)C=C1)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C18H17F3N4O2S/c1-2-8-25(17(22)28)23-16(27)13-6-7-15(26)24(11-13)10-12-4-3-5-14(9-12)18(19,20)21/h2-7,9,11H,1,8,10H2,(H2,22,28)(H,23,27)