1-[(E)-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]methyleneamino]thiourea CAS Name: 1-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]benzylidene]amino]thiourea Formula: C20H22N4O4S MolecularWeight: 414.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C=NNC(=S)NCC=C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)/C=N/NC(=S)NCC=C)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-4-9-21-20(29)23-22-12-15-5-8-19(27-3)16(11-15)13-28-17-6-7-18(24(25)26)14(2)10-17/h4-8,10-12H,1,9,13H2,2-3H3,(H2,21,23,29)/b22-12+