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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=N\NC(=S)NCC=C)/C1=CC(=C(C=C1)OC)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/h4-7,9-11H,1,8,12H2,2-3H3,(H2,19,23,25)/b22-13+