O-tert-butyl N-[1-[(4-cyanophenyl)amino]-1-oxidanylidene-pentan-2-yl]carbamothioate

Systemtic Name: O-tert-butyl N-[1-[(4-cyanophenyl)amino]-1-oxidanylidene-pentan-2-yl]carbamothioate Openeye Name: O-tert-butyl N-[1-[(4-cyanophenyl)carbamoyl]butyl]carbamothioate CAS Name: N-[1-(4-cyanoanilino)-1-oxopentan-2-yl]carbamothioic acid O-tert-butyl ester IUPAC Name: O-tert-butyl N-[1-(4-cyanoanilino)-1-oxopentan-2-yl]carbamothioate Traditional Name: N-[1-[(4-cyanophenyl)carbamoyl]butyl]thiocarbamic acid O-tert-butyl ester Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=CC=C(C=C1)C#N)NC(=S)OC(C)(C)C

Isomeric SMILES

CCCC(C(=O)NC1=CC=C(C=C1)C#N)NC(=S)OC(C)(C)C

InChI

InChI=1S/C17H23N3O2S/c1-5-6-14(20-16(23)22-17(2,3)4)15(21)19-13-9-7-12(11-18)8-10-13/h7-10,14H,5-6H2,1-4H3,(H,19,21)(H,20,23)