1-(2-phenylsulfanylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(2-phenylsulfanylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(2-phenylsulfanylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-[2-(phenylthio)ethyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2-phenylsulfanylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-[2-(phenylthio)ethyl]-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C19H23N3O2S3 MolecularWeight: 421.59982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2S3/c23-27(24,22-13-4-5-14-22)18-10-8-16(9-11-18)21-19(25)20-12-15-26-17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-15H2,(H2,20,21,25)