1-[[(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]-3-cyclopentyl-thiourea

Systemtic Name: 1-[[(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]-3-cyclopentyl-thiourea Openeye Name: 1-[[(E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]-3-cyclopentyl-thiourea CAS Name: 1-[[(E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-1-oxoprop-2-enyl]amino]-3-cyclopentylthiourea IUPAC Name: 1-[[(E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]amino]-3-cyclopentylthiourea Traditional Name: 1-[[(E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]amino]-3-cyclopentyl-thiourea Formula: C20H24ClN5OS MolecularWeight: 417.95546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NNC(=S)NC2CCCC2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NNC(=S)NC2CCCC2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H24ClN5OS/c1-14-17(19(21)26(25-14)13-15-7-3-2-4-8-15)11-12-18(27)23-24-20(28)22-16-9-5-6-10-16/h2-4,7-8,11-12,16H,5-6,9-10,13H2,1H3,(H,23,27)(H2,22,24,28)/b12-11+