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

Systemtic Name: 1-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]-3-(2-thiophen-2-ylethyl)thiourea Openeye Name: 1-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]-3-[2-(2-thienyl)ethyl]thiourea CAS Name: 1-[[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]-3-(2-thiophen-2-ylethyl)thiourea IUPAC Name: 1-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]-3-(2-thiophen-2-ylethyl)thiourea Traditional Name: 1-[[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]amino]-3-[2-(2-thienyl)ethyl]thiourea Formula: C19H19N5OS2 MolecularWeight: 397.51706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=CC(=O)NNC(=S)NCCC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C/C(=O)NNC(=S)NCCC3=CC=CS3

InChI

InChI=1S/C19H19N5OS2/c25-18(22-23-19(26)20-11-10-17-7-4-12-27-17)9-8-15-13-21-24(14-15)16-5-2-1-3-6-16/h1-9,12-14H,10-11H2,(H,22,25)(H2,20,23,26)/b9-8+