tert-butyl N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]carbamate CAS Name: N-[3-[[(6-ethyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]carbamate Traditional Name: N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H23N3O3S/c1-5-13-9-10-16-17(11-13)28-19(23-16)24-18(25)14-7-6-8-15(12-14)22-20(26)27-21(2,3)4/h6-12H,5H2,1-4H3,(H,22,26)(H,23,24,25)