tert-butyl 4-[1,3-benzothiazol-2-ylcarbamoyl(3,3-diphenylpropyl)amino]butanoate

Systemtic Name: tert-butyl 4-[1,3-benzothiazol-2-ylcarbamoyl(3,3-diphenylpropyl)amino]butanoate Openeye Name: tert-butyl 4-[1,3-benzothiazol-2-ylcarbamoyl(3,3-diphenylpropyl)amino]butanoate CAS Name: 4-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]-(3,3-diphenylpropyl)amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1,3-benzothiazol-2-ylcarbamoyl(3,3-diphenylpropyl)amino]butanoate Traditional Name: 4-[1,3-benzothiazol-2-ylcarbamoyl(3,3-diphenylpropyl)amino]butyric acid tert-butyl ester Formula: C31H35N3O3S MolecularWeight: 529.6929

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCN(CCC(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)OC(=O)CCCN(CCC(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C31H35N3O3S/c1-31(2,3)37-28(35)19-12-21-34(30(36)33-29-32-26-17-10-11-18-27(26)38-29)22-20-25(23-13-6-4-7-14-23)24-15-8-5-9-16-24/h4-11,13-18,25H,12,19-22H2,1-3H3,(H,32,33,36)