1-[(4-bromanyl-2-methyl-pyrazol-3-yl)methyl]-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[(4-bromanyl-2-methyl-pyrazol-3-yl)methyl]-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea Openeye Name: 1-[(4-bromo-2-methyl-pyrazol-3-yl)methyl]-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea CAS Name: 1-[(4-bromo-2-methyl-3-pyrazolyl)methyl]-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[(4-bromo-2-methylpyrazol-3-yl)methyl]-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea Traditional Name: 1-[(4-bromo-2-methyl-pyrazol-3-yl)methyl]-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)NCC2=C(C=NN2C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=S)NCC2=C(C=NN2C)Br)OCC

InChI

InChI=1S/C18H25BrN4O2S/c1-4-24-16-7-6-13(10-17(16)25-5-2)8-9-20-18(26)21-12-15-14(19)11-22-23(15)3/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H2,20,21,26)