3-[4-(4-chlorophenyl)piperazin-1-yl]propyl N-(1,3-benzothiazol-6-yl)carbamate

Systemtic Name: 3-[4-(4-chlorophenyl)piperazin-1-yl]propyl N-(1,3-benzothiazol-6-yl)carbamate Openeye Name: 3-[4-(4-chlorophenyl)piperazin-1-yl]propyl N-(1,3-benzothiazol-6-yl)carbamate CAS Name: N-(1,3-benzothiazol-6-yl)carbamic acid 3-[4-(4-chlorophenyl)-1-piperazinyl]propyl ester IUPAC Name: 3-[4-(4-chlorophenyl)piperazin-1-yl]propyl N-(1,3-benzothiazol-6-yl)carbamate Traditional Name: N-(1,3-benzothiazol-6-yl)carbamic acid 3-[4-(4-chlorophenyl)piperazino]propyl ester Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC(=O)NC2=CC3=C(C=C2)N=CS3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CCCOC(=O)NC2=CC3=C(C=C2)N=CS3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN4O2S/c22-16-2-5-18(6-3-16)26-11-9-25(10-12-26)8-1-13-28-21(27)24-17-4-7-19-20(14-17)29-15-23-19/h2-7,14-15H,1,8-13H2,(H,24,27)