[4-[(3,5-dimethylphenyl)methoxy]-3-methoxy-phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium

Systemtic Name: [4-[(3,5-dimethylphenyl)methoxy]-3-methoxy-phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[[4-[(3,5-dimethylphenyl)methoxy]-3-methoxy-phenyl]methylene]ammonium CAS Name: [4-[(3,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: [4-[(3,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-[4-(3,5-dimethylbenzyl)oxy-3-methoxy-benzylidene]ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC2=C(C=C(C=C2)C=[NH+]NC(=S)NCC=C)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC2=C(C=C(C=C2)C=[NH+]NC(=S)NCC=C)OC)C

InChI

InChI=1S/C21H25N3O2S/c1-5-8-22-21(27)24-23-13-17-6-7-19(20(12-17)25-4)26-14-18-10-15(2)9-16(3)11-18/h5-7,9-13H,1,8,14H2,2-4H3,(H2,22,24,27)/p+1