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

Systemtic Name: O-tert-butyl N-[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-pentan-2-yl]carbamothioate Openeye Name: O-tert-butyl N-[1-[(4-carbamoylphenyl)carbamoyl]butyl]carbamothioate CAS Name: N-[1-(4-carbamoylanilino)-1-oxopentan-2-yl]carbamothioic acid O-tert-butyl ester IUPAC Name: O-tert-butyl N-[1-(4-carbamoylanilino)-1-oxopentan-2-yl]carbamothioate Traditional Name: N-[1-[(4-carbamoylphenyl)carbamoyl]butyl]thiocarbamic acid O-tert-butyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c1-5-6-13(20-16(24)23-17(2,3)4)15(22)19-12-9-7-11(8-10-12)14(18)21/h7-10,13H,5-6H2,1-4H3,(H2,18,21)(H,19,22)(H,20,24)