diethyl-[2-[(4-propan-2-ylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(4-propan-2-ylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(4-isopropylphenyl)carbamothioyl-(2-thienylmethyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(4-propan-2-ylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[p-cumenylthiocarbamoyl(2-thenyl)amino]ethyl]ammonium Formula: C21H32N3S2+ MolecularWeight: 390.62888

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC1=CC=CS1)C(=S)NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC[NH+](CC)CCN(CC1=CC=CS1)C(=S)NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H31N3S2/c1-5-23(6-2)13-14-24(16-20-8-7-15-26-20)21(25)22-19-11-9-18(10-12-19)17(3)4/h7-12,15,17H,5-6,13-14,16H2,1-4H3,(H,22,25)/p+1