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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NNC(=O)CCC2=CC(=C(C=C2)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NNC(=O)CCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C18H21N3O3S/c22-15-8-6-14(12-16(15)23)7-9-17(24)20-21-18(25)19-11-10-13-4-2-1-3-5-13/h1-6,8,12,22-23H,7,9-11H2,(H,20,24)(H2,19,21,25)