1-(3-methylbutyl)-3-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiourea Openeye Name: 1-isopentyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea Traditional Name: 1-isoamyl-3-[(3-pyrrolidinosulfonylbenzoyl)amino]thiourea Formula: C17H26N4O3S2 MolecularWeight: 398.54334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O3S2/c1-13(2)8-9-18-17(25)20-19-16(22)14-6-5-7-15(12-14)26(23,24)21-10-3-4-11-21/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,19,22)(H2,18,20,25)