1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)thiourea CAS Name: 1-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiourea Traditional Name: 1-benzyl-3-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)thiourea Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O3S2/c27-31(28,26-12-14-29-15-13-26)19-8-9-21(25-10-4-5-11-25)20(16-19)24-22(30)23-17-18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2,(H2,23,24,30)