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

Systemtic Name: tert-butyl N-[2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butylcarbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butylcarbamoyl]phenyl]carbamate CAS Name: N-[2-[[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butylamino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butylcarbamoyl]phenyl]carbamate Traditional Name: N-[2-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butylcarbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C27H35N5O3S MolecularWeight: 515.619429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)NCCCCN2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N[13C]1=[13CH][13CH]=[13CH][13CH]=[13C]1C(=O)NCCCCN2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C27H35N5O3S/c1-27(2,3)35-26(34)29-22-12-6-4-10-20(22)25(33)28-14-8-9-15-31-16-18-32(19-17-31)24-21-11-5-7-13-23(21)36-30-24/h4-7,10-13H,8-9,14-19H2,1-3H3,(H,28,33)(H,29,34)/i4+1,6+1,10+1,12+1,20+1,22+1