1-(2-tert-butyl-5-cyano-phenyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(2-tert-butyl-5-cyano-phenyl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2-tert-butyl-5-cyano-phenyl)thiourea CAS Name: 1-(2-tert-butyl-5-cyanophenyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2-tert-butyl-5-cyanophenyl)thiourea Traditional Name: 1-benzyl-3-(2-tert-butyl-5-cyano-phenyl)thiourea Formula: C19H21N3S MolecularWeight: 323.45514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C#N)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C#N)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C19H21N3S/c1-19(2,3)16-10-9-15(12-20)11-17(16)22-18(23)21-13-14-7-5-4-6-8-14/h4-11H,13H2,1-3H3,(H2,21,22,23)