1-[(E)-[3-ethoxy-4-(1-phenylethoxy)phenyl]methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-[3-ethoxy-4-(1-phenylethoxy)phenyl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-[3-ethoxy-4-(1-phenylethoxy)phenyl]methyleneamino]thiourea CAS Name: 1-[(E)-[3-ethoxy-4-(1-phenylethoxy)phenyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-[3-ethoxy-4-(1-phenylethoxy)phenyl]methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-[3-ethoxy-4-(1-phenylethoxy)benzylidene]amino]thiourea Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=S)NCC=C)OC(C)C2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=S)NCC=C)OC(C)C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O2S/c1-4-13-22-21(27)24-23-15-17-11-12-19(20(14-17)25-5-2)26-16(3)18-9-7-6-8-10-18/h4,6-12,14-16H,1,5,13H2,2-3H3,(H2,22,24,27)/b23-15+