1-tert-butyl-3-[3-(phenylsulfonyl)propanoylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[3-(phenylsulfonyl)propanoylamino]thiourea Openeye Name: 1-[3-(benzenesulfonyl)propanoylamino]-3-tert-butyl-thiourea CAS Name: 1-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-3-tert-butylthiourea IUPAC Name: 1-[3-(benzenesulfonyl)propanoylamino]-3-tert-butylthiourea Traditional Name: 1-(3-besylpropanoylamino)-3-tert-butyl-thiourea Formula: C14H21N3O3S2 MolecularWeight: 343.46484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)CCS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)CCS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H21N3O3S2/c1-14(2,3)15-13(21)17-16-12(18)9-10-22(19,20)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18)(H2,15,17,21)