1-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-1-oxoprop-2-enyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[[(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C=CC2=C(N(C(=C2)C)C3CC3)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)/C=C/C2=C(N(C(=C2)C)C3CC3)C)C

InChI

InChI=1S/C22H28N4OS/c1-5-17-8-6-7-14(2)21(17)23-22(28)25-24-20(27)12-9-18-13-15(3)26(16(18)4)19-10-11-19/h6-9,12-13,19H,5,10-11H2,1-4H3,(H,24,27)(H2,23,25,28)/b12-9+