tert-butyl N-[[4-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[3-(1,3-benzothiazol-2-yl)propylamino]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H27N3O3S/c1-23(2,3)29-22(28)25-15-16-10-12-17(13-11-16)21(27)24-14-6-9-20-26-18-7-4-5-8-19(18)30-20/h4-5,7-8,10-13H,6,9,14-15H2,1-3H3,(H,24,27)(H,25,28)