1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethylcarbamothioylamino)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethylcarbamothioylamino)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-furylmethylcarbamothioylamino)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethylcarbamothioylamino)thiourea Traditional Name: 1-(2-furfuryl)-3-(homoveratrylthiocarbamoylamino)thiourea Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=S)NCC2=CC=CO2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=S)NCC2=CC=CO2)OC

InChI

InChI=1S/C17H22N4O3S2/c1-22-14-6-5-12(10-15(14)23-2)7-8-18-16(25)20-21-17(26)19-11-13-4-3-9-24-13/h3-6,9-10H,7-8,11H2,1-2H3,(H2,18,20,25)(H2,19,21,26)