1-[(E)-[3-bromanyl-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-[3-bromanyl-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-[3-bromo-5-methoxy-4-(2-pyridylmethoxy)phenyl]methyleneamino]thiourea CAS Name: 1-[(E)-[3-bromo-5-methoxy-4-(2-pyridinylmethoxy)phenyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-[3-bromo-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-[3-bromo-5-methoxy-4-(2-pyridylmethoxy)benzylidene]amino]thiourea Formula: C18H19BrN4O2S MolecularWeight: 435.33806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=S)NCC=C)Br)OCC2=CC=CC=N2

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=S)NCC=C)Br)OCC2=CC=CC=N2

InChI

InChI=1S/C18H19BrN4O2S/c1-3-7-21-18(26)23-22-11-13-9-15(19)17(16(10-13)24-2)25-12-14-6-4-5-8-20-14/h3-6,8-11H,1,7,12H2,2H3,(H2,21,23,26)/b22-11+