1-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]-1-phenethyl-thiourea

Systemtic Name: 1-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]-1-phenethyl-thiourea Openeye Name: 1-[3-(3,4-dihydroxyphenyl)propanoylamino]-1-phenethyl-thiourea CAS Name: 1-[[3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]-1-phenethylthiourea IUPAC Name: 1-[3-(3,4-dihydroxyphenyl)propanoylamino]-1-phenethylthiourea Traditional Name: 1-[3-(3,4-dihydroxyphenyl)propanoylamino]-1-phenethyl-thiourea Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(C(=S)N)NC(=O)CCC2=CC(=C(C=C2)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN(C(=S)N)NC(=O)CCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C18H21N3O3S/c19-18(25)21(11-10-13-4-2-1-3-5-13)20-17(24)9-7-14-6-8-15(22)16(23)12-14/h1-6,8,12,22-23H,7,9-11H2,(H2,19,25)(H,20,24)