diethyl-[3-[1H-indol-3-ylmethyl-[(2,4,6-trimethylphenyl)carbamothioyl]amino]propyl]azanium

Systemtic Name: diethyl-[3-[1H-indol-3-ylmethyl-[(2,4,6-trimethylphenyl)carbamothioyl]amino]propyl]azanium Openeye Name: diethyl-[3-[1H-indol-3-ylmethyl-[(2,4,6-trimethylphenyl)carbamothioyl]amino]propyl]ammonium CAS Name: diethyl-[3-[1H-indol-3-ylmethyl-[sulfanylidene-(2,4,6-trimethylanilino)methyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[1H-indol-3-ylmethyl-[(2,4,6-trimethylphenyl)carbamothioyl]amino]propyl]azanium Traditional Name: diethyl-[3-[1H-indol-3-ylmethyl(mesitylthiocarbamoyl)amino]propyl]ammonium Formula: C26H37N4S+ MolecularWeight: 437.66378

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(CC1=CNC2=CC=CC=C21)C(=S)NC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC[NH+](CC)CCCN(CC1=CNC2=CC=CC=C21)C(=S)NC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C26H36N4S/c1-6-29(7-2)13-10-14-30(18-22-17-27-24-12-9-8-11-23(22)24)26(31)28-25-20(4)15-19(3)16-21(25)5/h8-9,11-12,15-17,27H,6-7,10,13-14,18H2,1-5H3,(H,28,31)/p+1