5-chloranyl-2-[3-[4-(diphenylmethyl)piperazin-1-yl]propylamino]benzenethiol

Systemtic Name: 5-chloranyl-2-[3-[4-(diphenylmethyl)piperazin-1-yl]propylamino]benzenethiol Openeye Name: 2-[3-(4-benzhydrylpiperazin-1-yl)propylamino]-5-chloro-benzenethiol CAS Name: 5-chloro-2-[3-[4-(diphenylmethyl)-1-piperazinyl]propylamino]benzenethiol IUPAC Name: 2-[3-(4-benzhydrylpiperazin-1-yl)propylamino]-5-chlorobenzenethiol Traditional Name: 2-[3-(4-benzhydrylpiperazino)propylamino]-5-chloro-benzenethiol Formula: C26H30ClN3S MolecularWeight: 452.0545

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC2=C(C=C(C=C2)Cl)S)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCNC2=C(C=C(C=C2)Cl)S)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H30ClN3S/c27-23-12-13-24(25(31)20-23)28-14-7-15-29-16-18-30(19-17-29)26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-13,20,26,28,31H,7,14-19H2