1-heptan-3-yl-3-[[5-isocyano-4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]urea

Systemtic Name: 1-heptan-3-yl-3-[[5-isocyano-4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]urea Openeye Name: 1-(1-ethylpentyl)-3-[[5-isocyano-4-(m-tolyl)thiazol-2-yl]amino]urea CAS Name: 1-heptan-3-yl-3-[[5-isocyano-4-(3-methylphenyl)-2-thiazolyl]amino]urea IUPAC Name: 1-heptan-3-yl-3-[[5-isocyano-4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]urea Traditional Name: 1-(1-ethylpentyl)-3-[[5-isocyano-4-(m-tolyl)thiazol-2-yl]amino]urea Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)NC(=O)NNC1=NC(=C(S1)[N+]#[C-])C2=CC(=CC=C2)C

Isomeric SMILES

CCCCC(CC)NC(=O)NNC1=NC(=C(S1)[N+]#[C-])C2=CC(=CC=C2)C

InChI

InChI=1S/C19H25N5OS/c1-5-7-11-15(6-2)21-18(25)23-24-19-22-16(17(20-4)26-19)14-10-8-9-13(3)12-14/h8-10,12,15H,5-7,11H2,1-3H3,(H,22,24)(H2,21,23,25)