[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl]-dipropyl-(sulfanylidenecarbamoyl)azanium

Systemtic Name: [4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl]-dipropyl-(sulfanylidenecarbamoyl)azanium Openeye Name: [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-cyclohexyl]-dipropyl-(thioxocarbamoyl)ammonium CAS Name: [4-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-4-phenylcyclohexyl]-[oxo(thionitroso)methyl]-dipropylammonium IUPAC Name: [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]-dipropyl-(sulfanylidenecarbamoyl)azanium Traditional Name: [4-[(o-anisoylamino)methyl]-4-phenyl-cyclohexyl]-dipropyl-(thioxocarbamoyl)ammonium Formula: C28H38N3O3S+ MolecularWeight: 496.68462

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(C1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3)C(=O)N=S

Isomeric SMILES

CCC[N+](CCC)(C1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3)C(=O)N=S

InChI

InChI=1S/C28H37N3O3S/c1-4-19-31(20-5-2,27(33)30-35)23-15-17-28(18-16-23,22-11-7-6-8-12-22)21-29-26(32)24-13-9-10-14-25(24)34-3/h6-14,23H,4-5,15-21H2,1-3H3/p+1