1-(3-chloranyl-2-methyl-phenyl)-1-[2-[3-oxidanylidene-4-(phenylmethyl)piperazin-2-yl]ethanoylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-1-[2-[3-oxidanylidene-4-(phenylmethyl)piperazin-2-yl]ethanoylamino]thiourea Openeye Name: 1-[[2-(4-benzyl-3-oxo-piperazin-2-yl)acetyl]amino]-1-(3-chloro-2-methyl-phenyl)thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-1-[[1-oxo-2-[3-oxo-4-(phenylmethyl)-2-piperazinyl]ethyl]amino]thiourea IUPAC Name: 1-[[2-(4-benzyl-3-oxopiperazin-2-yl)acetyl]amino]-1-(3-chloro-2-methylphenyl)thiourea Traditional Name: 1-[[2-(4-benzyl-3-keto-piperazin-2-yl)acetyl]amino]-1-(3-chloro-2-methyl-phenyl)thiourea Formula: C21H24ClN5O2S MolecularWeight: 445.96556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N(C(=S)N)NC(=O)CC2C(=O)N(CCN2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N(C(=S)N)NC(=O)CC2C(=O)N(CCN2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24ClN5O2S/c1-14-16(22)8-5-9-18(14)27(21(23)30)25-19(28)12-17-20(29)26(11-10-24-17)13-15-6-3-2-4-7-15/h2-9,17,24H,10-13H2,1H3,(H2,23,30)(H,25,28)