1-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-3-phenyl-urea

Systemtic Name: 1-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-3-phenyl-urea Openeye Name: 1-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-3-phenyl-urea CAS Name: 1-[(Z)-1-[4-methoxy-3-[(2-pyrimidinylthio)methyl]phenyl]ethylideneamino]-3-phenylurea IUPAC Name: 1-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-3-phenylurea Traditional Name: 1-[(Z)-1-[4-methoxy-3-[(2-pyrimidylthio)methyl]phenyl]ethylideneamino]-3-phenyl-urea Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)NC1=CC=CC=C1)C2=CC(=C(C=C2)OC)CSC3=NC=CC=N3

Isomeric SMILES

C/C(=N/NC(=O)NC1=CC=CC=C1)/C2=CC(=C(C=C2)OC)CSC3=NC=CC=N3

InChI

InChI=1S/C21H21N5O2S/c1-15(25-26-20(27)24-18-7-4-3-5-8-18)16-9-10-19(28-2)17(13-16)14-29-21-22-11-6-12-23-21/h3-13H,14H2,1-2H3,(H2,24,26,27)/b25-15-