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

Systemtic Name: 1-[(E)-[3-bromanyl-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-[3-bromo-5-methoxy-4-(4-pyridylmethoxy)phenyl]methyleneamino]thiourea CAS Name: 1-[(E)-[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-[3-bromo-5-methoxy-4-(4-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=NC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=S)NCC=C)Br)OCC2=CC=NC=C2

InChI

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