1-cyclohexyl-3-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]thiourea

Systemtic Name: 1-cyclohexyl-3-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]thiourea Openeye Name: 1-cyclohexyl-3-[(E)-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]methyleneamino]thiourea CAS Name: 1-cyclohexyl-3-[(E)-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]methylideneamino]thiourea IUPAC Name: 1-cyclohexyl-3-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]thiourea Traditional Name: 1-cyclohexyl-3-[(E)-[4-methoxy-3-[(2-pyridylthio)methyl]benzylidene]amino]thiourea Formula: C21H26N4OS2 MolecularWeight: 414.58734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=S)NC2CCCCC2)CSC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=S)NC2CCCCC2)CSC3=CC=CC=N3

InChI

InChI=1S/C21H26N4OS2/c1-26-19-11-10-16(13-17(19)15-28-20-9-5-6-12-22-20)14-23-25-21(27)24-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8,15H2,1H3,(H2,24,25,27)/b23-14+