1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C23H31N4O2S2+ MolecularWeight: 459.64784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O2S2/c28-31(29,27-14-4-5-15-27)22-10-8-20(9-11-22)24-23(30)25-21-12-16-26(17-13-21)18-19-6-2-1-3-7-19/h1-3,6-11,21H,4-5,12-18H2,(H2,24,25,30)/p+1