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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridylmethyl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-homoveratryl-3-(4-pyridylmethyl)thiourea Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c1-21-15-4-3-13(11-16(15)22-2)7-10-19-17(23)20-12-14-5-8-18-9-6-14/h3-6,8-9,11H,7,10,12H2,1-2H3,(H2,19,20,23)