[2-[4-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]piperazin-1-yl]phenyl]sulfanyl-methylsulfanyl-methanone

Systemtic Name: [2-[4-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]piperazin-1-yl]phenyl]sulfanyl-methylsulfanyl-methanone Openeye Name: [2-[4-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]piperazin-1-yl]phenyl]sulfanyl-methylsulfanyl-methanone CAS Name: [[2-[4-[(2-methoxy-4,5-dimethyl-1-cyclohexa-2,4-dienyl)amino]-1-piperazinyl]phenyl]thio]-(methylthio)methanone IUPAC Name: [2-[4-[(2-methoxy-4,5-dimethylcyclohexa-2,4-dien-1-yl)amino]piperazin-1-yl]phenyl]sulfanyl-methylsulfanylmethanone Traditional Name: [[2-[4-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]piperazino]phenyl]thio]-(methylthio)methanone Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(C1)NN2CCN(CC2)C3=CC=CC=C3SC(=O)SC)OC)C

Isomeric SMILES

CC1=C(C=C(C(C1)NN2CCN(CC2)C3=CC=CC=C3SC(=O)SC)OC)C

InChI

InChI=1S/C21H29N3O2S2/c1-15-13-17(19(26-3)14-16(15)2)22-24-11-9-23(10-12-24)18-7-5-6-8-20(18)28-21(25)27-4/h5-8,14,17,22H,9-13H2,1-4H3