1-[[3-ethoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enyl-phenyl]methylideneamino]-3-ethyl-thiourea

Systemtic Name: 1-[[3-ethoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enyl-phenyl]methylideneamino]-3-ethyl-thiourea Openeye Name: 1-[[3-allyl-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methyleneamino]-3-ethyl-thiourea CAS Name: 1-[[3-ethoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-ethylthiourea IUPAC Name: 1-[[3-ethoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-3-ethylthiourea Traditional Name: 1-[[3-allyl-5-ethoxy-4-(3-nitrobenzyl)oxy-benzylidene]amino]-3-ethyl-thiourea Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=CC(=C(C(=C1)OCC)OCC2=CC(=CC=C2)[N+](=O)[O-])CC=C

Isomeric SMILES

CCNC(=S)NN=CC1=CC(=C(C(=C1)OCC)OCC2=CC(=CC=C2)[N+](=O)[O-])CC=C

InChI

InChI=1S/C22H26N4O4S/c1-4-8-18-11-17(14-24-25-22(31)23-5-2)13-20(29-6-3)21(18)30-15-16-9-7-10-19(12-16)26(27)28/h4,7,9-14H,1,5-6,8,15H2,2-3H3,(H2,23,25,31)