1-(3-methylbutyl)-3-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]thiourea Openeye Name: 1-isopentyl-3-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]thiourea Traditional Name: 1-isoamyl-3-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]thiourea Formula: C20H23N5OS2 MolecularWeight: 413.55952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H23N5OS2/c1-14(2)10-11-21-20(27)23-22-19(26)16-13-25(15-7-4-3-5-8-15)24-18(16)17-9-6-12-28-17/h3-9,12-14H,10-11H2,1-2H3,(H,22,26)(H2,21,23,27)