1-(3-methylsulfanylpropyl)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiourea

Systemtic Name: 1-(3-methylsulfanylpropyl)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiourea Openeye Name: 1-(3-methylsulfanylpropyl)-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea CAS Name: 1-[3-(methylthio)propyl]-3-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-(3-methylsulfanylpropyl)-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea Traditional Name: 1-[3-(methylthio)propyl]-3-[(4-pyrrolidinosulfonylbenzoyl)amino]thiourea Formula: C16H24N4O3S3 MolecularWeight: 416.58176

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CSCCCNC(=S)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H24N4O3S3/c1-25-12-4-9-17-16(24)19-18-15(21)13-5-7-14(8-6-13)26(22,23)20-10-2-3-11-20/h5-8H,2-4,9-12H2,1H3,(H,18,21)(H2,17,19,24)