2-[(4-carbamothioylphenyl)carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[(4-carbamothioylphenyl)carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[(4-carbamothioylbenzoyl)amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(4-carbamothioylphenyl)-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(4-carbamothioylbenzoyl)amino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[(4-thiocarbamoylbenzoyl)amino]ethyl]ammonium Formula: C16H26N3OS+ MolecularWeight: 308.46214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=CC=C(C=C1)C(=S)N)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=CC=C(C=C1)C(=S)N)C(C)C

InChI

InChI=1S/C16H25N3OS/c1-11(2)19(12(3)4)10-9-18-16(20)14-7-5-13(6-8-14)15(17)21/h5-8,11-12H,9-10H2,1-4H3,(H2,17,21)(H,18,20)/p+1