2-[[4-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[(4-ethoxyanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[[4-(p-phenetylcarbamoyl)phenyl]thiocarbamoylamino]ethyl]ammonium Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NCC[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NCC[NH+](C)C

InChI

InChI=1S/C20H26N4O2S/c1-4-26-18-11-9-16(10-12-18)22-19(25)15-5-7-17(8-6-15)23-20(27)21-13-14-24(2)3/h5-12H,4,13-14H2,1-3H3,(H,22,25)(H2,21,23,27)/p+1