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

Systemtic Name: tert-butyl N-[[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]methyl]carbamate CAS Name: N-[[4-[(1,3-benzothiazol-2-ylamino)-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]methyl]carbamate Traditional Name: N-[4-(1,3-benzothiazol-2-ylcarbamoyl)benzyl]carbamic acid tert-butyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O3S/c1-20(2,3)26-19(25)21-12-13-8-10-14(11-9-13)17(24)23-18-22-15-6-4-5-7-16(15)27-18/h4-11H,12H2,1-3H3,(H,21,25)(H,22,23,24)