1-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-(p-tolylsulfonyl)propanoylamino]thiourea CAS Name: 1-[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]thiourea Traditional Name: 1-benzyl-3-(3-tosylpropanoylamino)thiourea Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O3S2/c1-14-7-9-16(10-8-14)26(23,24)12-11-17(22)20-21-18(25)19-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,22)(H2,19,21,25)