1-(2-dimethylaminoethyl)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiourea

Systemtic Name: 1-(2-dimethylaminoethyl)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiourea Openeye Name: 1-(2-dimethylaminoethyl)-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea CAS Name: 1-(2-dimethylaminoethyl)-3-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-(2-dimethylaminoethyl)-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea Traditional Name: 1-(2-dimethylaminoethyl)-3-[(4-pyrrolidinosulfonylbenzoyl)amino]thiourea Formula: C16H25N5O3S2 MolecularWeight: 399.5314

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CN(C)CCNC(=S)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H25N5O3S2/c1-20(2)12-9-17-16(25)19-18-15(22)13-5-7-14(8-6-13)26(23,24)21-10-3-4-11-21/h5-8H,3-4,9-12H2,1-2H3,(H,18,22)(H2,17,19,25)