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

Systemtic Name: 1-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea CAS Name: 1-[[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-p-cumenyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]amino]thiourea Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5OS/c1-16(2)18-9-11-19(12-10-18)24-22(29)26-25-21(28)13-8-17-14-23-27(15-17)20-6-4-3-5-7-20/h3-16H,1-2H3,(H,25,28)(H2,24,26,29)/b13-8+