3-(3-pentadecylphenoxy)propyl N-[(5-methyl-2,1-benzothiazol-3-yl)amino]carbamate

Systemtic Name: 3-(3-pentadecylphenoxy)propyl N-[(5-methyl-2,1-benzothiazol-3-yl)amino]carbamate Openeye Name: 3-(3-pentadecylphenoxy)propyl N-[(5-methyl-2,1-benzothiazol-3-yl)amino]carbamate CAS Name: N-[(5-methyl-2,1-benzothiazol-3-yl)amino]carbamic acid 3-(3-pentadecylphenoxy)propyl ester IUPAC Name: 3-(3-pentadecylphenoxy)propyl N-[(5-methyl-2,1-benzothiazol-3-yl)amino]carbamate Traditional Name: N-[(5-methyl-2,1-benzothiazol-3-yl)amino]carbamic acid 3-(3-pentadecylphenoxy)propyl ester Formula: C33H49N3O3S MolecularWeight: 567.82546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCCCOC(=O)NNC2=C3C=C(C=CC3=NS2)C

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCCCOC(=O)NNC2=C3C=C(C=CC3=NS2)C

InChI

InChI=1S/C33H49N3O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-28-19-16-20-29(26-28)38-23-17-24-39-33(37)35-34-32-30-25-27(2)21-22-31(30)36-40-32/h16,19-22,25-26,34H,3-15,17-18,23-24H2,1-2H3,(H,35,37)