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

Systemtic Name: 1-(phenylmethyl)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiourea Openeye Name: 1-benzyl-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea CAS Name: 1-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea Traditional Name: 1-benzyl-3-[(4-pyrrolidinosulfonylbenzoyl)amino]thiourea Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3S2/c24-18(21-22-19(27)20-14-15-6-2-1-3-7-15)16-8-10-17(11-9-16)28(25,26)23-12-4-5-13-23/h1-3,6-11H,4-5,12-14H2,(H,21,24)(H2,20,22,27)