tert-butyl N-[6-(phenylcarbamothioylamino)hexyl]carbamate

Systemtic Name: tert-butyl N-[6-(phenylcarbamothioylamino)hexyl]carbamate Openeye Name: tert-butyl N-[6-(phenylcarbamothioylamino)hexyl]carbamate CAS Name: N-[6-[[anilino(sulfanylidene)methyl]amino]hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-(phenylcarbamothioylamino)hexyl]carbamate Traditional Name: N-[6-(phenylthiocarbamoylamino)hexyl]carbamic acid tert-butyl ester Formula: C18H29N3O2S MolecularWeight: 351.50676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCNC(=S)NC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCNC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C18H29N3O2S/c1-18(2,3)23-17(22)20-14-10-5-4-9-13-19-16(24)21-15-11-7-6-8-12-15/h6-8,11-12H,4-5,9-10,13-14H2,1-3H3,(H,20,22)(H2,19,21,24)