1-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethenylamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethenylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]vinylamino]thiourea CAS Name: 1-[1-[4-methoxy-3-[(2-pyrimidinylthio)methyl]phenyl]ethenylamino]-3-prop-2-enylthiourea IUPAC Name: 1-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethenylamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[1-[4-methoxy-3-[(2-pyrimidylthio)methyl]phenyl]vinylamino]thiourea Formula: C18H21N5OS2 MolecularWeight: 387.52224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=C)NNC(=S)NCC=C)CSC2=NC=CC=N2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=C)NNC(=S)NCC=C)CSC2=NC=CC=N2

InChI

InChI=1S/C18H21N5OS2/c1-4-8-19-17(25)23-22-13(2)14-6-7-16(24-3)15(11-14)12-26-18-20-9-5-10-21-18/h4-7,9-11,22H,1-2,8,12H2,3H3,(H2,19,23,25)