[4-[(4-tert-butylphenyl)methoxy]-3-methoxy-phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium

Systemtic Name: [4-[(4-tert-butylphenyl)methoxy]-3-methoxy-phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[[4-[(4-tert-butylphenyl)methoxy]-3-methoxy-phenyl]methylene]ammonium CAS Name: [4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: [4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-[4-(4-tert-butylbenzyl)oxy-3-methoxy-benzylidene]ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-6-13-24-22(29)26-25-15-18-9-12-20(21(14-18)27-5)28-16-17-7-10-19(11-8-17)23(2,3)4/h6-12,14-15H,1,13,16H2,2-5H3,(H2,24,26,29)/p+1