1-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanyl-propan-2-ol

Systemtic Name: 1-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanyl-propan-2-ol Openeye Name: 1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanyl-propan-2-ol CAS Name: 1-[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(phenylthio)-2-propanol IUPAC Name: 1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol Traditional Name: 1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]-3-(phenylthio)propan-2-ol Formula: C20H22ClN3OS2 MolecularWeight: 419.99118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CSC2=CC=CC=C2)O)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC(CSC2=CC=CC=C2)O)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN3OS2/c21-15-6-7-18-19(12-15)27-20(22-18)24-10-8-23(9-11-24)13-16(25)14-26-17-4-2-1-3-5-17/h1-7,12,16,25H,8-11,13-14H2