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

Systemtic Name: 1-(3-methylbutyl)-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea Openeye Name: 1-isopentyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]amino]thiourea Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C=CC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5OS/c1-14(2)10-11-19-18(25)22-21-17(24)9-8-15-12-20-23(13-15)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,21,24)(H2,19,22,25)/b9-8+