1-[2-(4-bromanylpyrazol-1-yl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[2-(4-bromanylpyrazol-1-yl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea Openeye Name: 1-[2-(4-bromopyrazol-1-yl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea CAS Name: 1-[2-(4-bromo-1-pyrazolyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[2-(4-bromopyrazol-1-yl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea Traditional Name: 1-[2-(4-bromopyrazol-1-yl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea Formula: C18H25BrN4O2S MolecularWeight: 441.3857

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=S)NCCN2C=C(C=N2)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=S)NCCN2C=C(C=N2)Br)OCC

InChI

InChI=1S/C18H25BrN4O2S/c1-3-24-16-6-5-14(11-17(16)25-4-2)7-8-20-18(26)21-9-10-23-13-15(19)12-22-23/h5-6,11-13H,3-4,7-10H2,1-2H3,(H2,20,21,26)