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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]amino]thiourea Formula: C21H21N5OS MolecularWeight: 391.48934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N5OS/c1-15-8-10-18(12-16(15)2)23-21(28)25-24-20(27)11-9-17-13-22-26(14-17)19-6-4-3-5-7-19/h3-14H,1-2H3,(H,24,27)(H2,23,25,28)/b11-9+