2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-chloro-5-(4-phenylpiperazino)sulfonyl-benzamide Formula: C22H22ClN5O3S3 MolecularWeight: 536.08978

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H22ClN5O3S3/c1-2-14-32-22-26-25-21(33-22)24-20(29)18-15-17(8-9-19(18)23)34(30,31)28-12-10-27(11-13-28)16-6-4-3-5-7-16/h2-9,15H,1,10-14H2,(H,24,25,29)