1-[[2-bromanyl-4-[(2-cyanophenyl)methoxy]-5-ethoxy-phenyl]methylideneamino]-3-ethyl-thiourea

Systemtic Name: 1-[[2-bromanyl-4-[(2-cyanophenyl)methoxy]-5-ethoxy-phenyl]methylideneamino]-3-ethyl-thiourea Openeye Name: 1-[[2-bromo-4-[(2-cyanophenyl)methoxy]-5-ethoxy-phenyl]methyleneamino]-3-ethyl-thiourea CAS Name: 1-[[2-bromo-4-[(2-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-ethylthiourea IUPAC Name: 1-[[2-bromo-4-[(2-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-ethylthiourea Traditional Name: 1-[[2-bromo-4-(2-cyanobenzyl)oxy-5-ethoxy-benzylidene]amino]-3-ethyl-thiourea Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=CC(=C(C=C1Br)OCC2=CC=CC=C2C#N)OCC

Isomeric SMILES

CCNC(=S)NN=CC1=CC(=C(C=C1Br)OCC2=CC=CC=C2C#N)OCC

InChI

InChI=1S/C20H21BrN4O2S/c1-3-23-20(28)25-24-12-16-9-18(26-4-2)19(10-17(16)21)27-13-15-8-6-5-7-14(15)11-22/h5-10,12H,3-4,13H2,1-2H3,(H2,23,25,28)