2-[2,3-bis(chloranyl)-4-sulfanyl-phenyl]-1-(2-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one

Systemtic Name: 2-[2,3-bis(chloranyl)-4-sulfanyl-phenyl]-1-(2-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one Openeye Name: 2-(2,3-dichloro-4-sulfanyl-phenyl)-1-(2-pyrrolidin-1-yl-1-piperidyl)prop-2-en-1-one CAS Name: 2-(2,3-dichloro-4-mercaptophenyl)-1-[2-(1-pyrrolidinyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: 2-(2,3-dichloro-4-sulfanylphenyl)-1-(2-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one Traditional Name: 2-(2,3-dichloro-4-mercapto-phenyl)-1-(2-pyrrolidinopiperidino)prop-2-en-1-one Formula: C18H22Cl2N2OS MolecularWeight: 385.35108

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(C(=C(C=C1)S)Cl)Cl)C(=O)N2CCCCC2N3CCCC3

Isomeric SMILES

C=C(C1=C(C(=C(C=C1)S)Cl)Cl)C(=O)N2CCCCC2N3CCCC3

InChI

InChI=1S/C18H22Cl2N2OS/c1-12(13-7-8-14(24)17(20)16(13)19)18(23)22-11-3-2-6-15(22)21-9-4-5-10-21/h7-8,15,24H,1-6,9-11H2