1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea CAS Name: 1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea Formula: C26H31N4O3S2+ MolecularWeight: 511.67934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S2/c1-33-24-11-7-23(8-12-24)29-35(31,32)25-13-9-21(10-14-25)27-26(34)28-22-15-17-30(18-16-22)19-20-5-3-2-4-6-20/h2-14,22,29H,15-19H2,1H3,(H2,27,28,34)/p+1