1-(phenylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(phenylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-benzyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(phenylmethyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-benzyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-benzyl-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2S2/c22-25(23,21-12-4-5-13-21)17-10-8-16(9-11-17)20-18(24)19-14-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2,(H2,19,20,24)