1-[(4-methoxyphenyl)methyl]-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]thiourea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea Traditional Name: 1-p-anisyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]amino]thiourea Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NNC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NNC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O2S/c1-28-19-10-7-16(8-11-19)13-22-21(29)25-24-20(27)12-9-17-14-23-26(15-17)18-5-3-2-4-6-18/h2-12,14-15H,13H2,1H3,(H,24,27)(H2,22,25,29)/b12-9+