1-[(E)-[2-bromanyl-4-(cyanomethoxy)-5-methoxy-phenyl]methylideneamino]-3-phenyl-thiourea

Systemtic Name: 1-[(E)-[2-bromanyl-4-(cyanomethoxy)-5-methoxy-phenyl]methylideneamino]-3-phenyl-thiourea Openeye Name: 1-[(E)-[2-bromo-4-(cyanomethoxy)-5-methoxy-phenyl]methyleneamino]-3-phenyl-thiourea CAS Name: 1-[(E)-[2-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methylideneamino]-3-phenylthiourea IUPAC Name: 1-[(E)-[2-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methylideneamino]-3-phenylthiourea Traditional Name: 1-[(E)-[2-bromo-4-(cyanomethoxy)-5-methoxy-benzylidene]amino]-3-phenyl-thiourea Formula: C17H15BrN4O2S MolecularWeight: 419.2956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=NNC(=S)NC2=CC=CC=C2)Br)OCC#N

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=N/NC(=S)NC2=CC=CC=C2)Br)OCC#N

InChI

InChI=1S/C17H15BrN4O2S/c1-23-15-9-12(14(18)10-16(15)24-8-7-19)11-20-22-17(25)21-13-5-3-2-4-6-13/h2-6,9-11H,8H2,1H3,(H2,21,22,25)/b20-11+