4-azanyl-N-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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