1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(phenylmethyl)carbamothioylamino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(phenylmethyl)carbamothioylamino]thiourea Openeye Name: 1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]thiourea Traditional Name: 1-benzyl-3-(homoveratrylthiocarbamoylamino)thiourea Formula: C19H24N4O2S2 MolecularWeight: 404.54946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=S)NCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=S)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C19H24N4O2S2/c1-24-16-9-8-14(12-17(16)25-2)10-11-20-18(26)22-23-19(27)21-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H2,20,22,26)(H2,21,23,27)