1-[2-(azepan-1-yl)-5-[(2-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-yl-thiourea

Systemtic Name: 1-[2-(azepan-1-yl)-5-[(2-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-yl-thiourea Openeye Name: 1-[2-(azepan-1-yl)-5-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(3-pyridyl)thiourea CAS Name: 1-[2-(1-azepanyl)-5-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[2-(azepan-1-yl)-5-[(2-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea Traditional Name: 1-[2-(azepan-1-yl)-5-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(3-pyridyl)thiourea Formula: C24H26ClN5O2S2 MolecularWeight: 516.07854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)NC(=S)NC4=CN=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)NC(=S)NC4=CN=CC=C4

InChI

InChI=1S/C24H26ClN5O2S2/c25-20-9-3-4-10-21(20)29-34(31,32)19-11-12-23(30-14-5-1-2-6-15-30)22(16-19)28-24(33)27-18-8-7-13-26-17-18/h3-4,7-13,16-17,29H,1-2,5-6,14-15H2,(H2,27,28,33)