1-[(4-methoxyphenyl)methyl]-3-[3-(phenylsulfonyl)propanoylamino]thiourea

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-[3-(phenylsulfonyl)propanoylamino]thiourea Openeye Name: 1-[3-(benzenesulfonyl)propanoylamino]-3-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[3-(benzenesulfonyl)propanoylamino]-3-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 1-(3-besylpropanoylamino)-3-p-anisyl-thiourea Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NNC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NNC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O4S2/c1-25-15-9-7-14(8-10-15)13-19-18(26)21-20-17(22)11-12-27(23,24)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,20,22)(H2,19,21,26)