1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(pyridin-3-ylcarbamothioylamino)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(pyridin-3-ylcarbamothioylamino)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyridylcarbamothioylamino)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(pyridin-3-ylcarbamothioylamino)thiourea Traditional Name: 1-homoveratryl-3-(3-pyridylthiocarbamoylamino)thiourea Formula: C17H21N5O2S2 MolecularWeight: 391.51094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=S)NC2=CN=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=S)NC2=CN=CC=C2)OC

InChI

InChI=1S/C17H21N5O2S2/c1-23-14-6-5-12(10-15(14)24-2)7-9-19-16(25)21-22-17(26)20-13-4-3-8-18-11-13/h3-6,8,10-11H,7,9H2,1-2H3,(H2,19,21,25)(H2,20,22,26)