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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[2-[3-oxidanylidene-4-(phenylmethyl)piperazin-2-yl]ethanoylamino]thiourea Openeye Name: 1-[[2-(4-benzyl-3-oxo-piperazin-2-yl)acetyl]amino]-3-(3-chloro-2-methyl-phenyl)thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[1-oxo-2-[3-oxo-4-(phenylmethyl)-2-piperazinyl]ethyl]amino]thiourea IUPAC Name: 1-[[2-(4-benzyl-3-oxopiperazin-2-yl)acetyl]amino]-3-(3-chloro-2-methylphenyl)thiourea Traditional Name: 1-[[2-(4-benzyl-3-keto-piperazin-2-yl)acetyl]amino]-3-(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)NC(=S)NNC(=O)CC2C(=O)N(CCN2)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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