dimethyl-[3-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl-(phenylmethyl)amino]propyl]azanium

Systemtic Name: dimethyl-[3-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl-(phenylmethyl)amino]propyl]azanium Openeye Name: 3-[benzyl-[(4-morpholinosulfonylphenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-(phenylmethyl)amino]propyl]ammonium IUPAC Name: 3-[benzyl-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzyl-[(4-morpholinosulfonylphenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C23H33N4O3S2+ MolecularWeight: 477.66312

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[NH+](C)CCCN(CC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C23H32N4O3S2/c1-25(2)13-6-14-26(19-20-7-4-3-5-8-20)23(31)24-21-9-11-22(12-10-21)32(28,29)27-15-17-30-18-16-27/h3-5,7-12H,6,13-19H2,1-2H3,(H,24,31)/p+1