2-[(3-azanyl-3-sulfanylidene-propyl)-phenyl-amino]-N-tert-butyl-propanamide

Systemtic Name: 2-[(3-azanyl-3-sulfanylidene-propyl)-phenyl-amino]-N-tert-butyl-propanamide Openeye Name: 2-(N-(3-amino-3-thioxo-propyl)anilino)-N-tert-butyl-propanamide CAS Name: 2-(N-(3-amino-3-sulfanylidenepropyl)anilino)-N-tert-butylpropanamide IUPAC Name: 2-(N-(3-amino-3-sulfanylidenepropyl)anilino)-N-tert-butylpropanamide Traditional Name: 2-(N-(3-amino-3-thioxo-propyl)anilino)-N-tert-butyl-propionamide Formula: C16H25N3OS MolecularWeight: 307.4542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)N(CCC(=S)N)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)NC(C)(C)C)N(CCC(=S)N)C1=CC=CC=C1

InChI

InChI=1S/C16H25N3OS/c1-12(15(20)18-16(2,3)4)19(11-10-14(17)21)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H2,17,21)(H,18,20)