1-(3-chloranyl-2-methyl-phenyl)-3-(2-dimethylaminoethylcarbamothioylamino)thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-(2-dimethylaminoethylcarbamothioylamino)thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-(2-dimethylaminoethylcarbamothioylamino)thiourea CAS Name: 1-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-3-(2-dimethylaminoethyl)thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-(2-dimethylaminoethylcarbamothioylamino)thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-(2-dimethylaminoethylthiocarbamoylamino)thiourea Formula: C13H20ClN5S2 MolecularWeight: 345.9144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=S)NCCN(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=S)NCCN(C)C

InChI

InChI=1S/C13H20ClN5S2/c1-9-10(14)5-4-6-11(9)16-13(21)18-17-12(20)15-7-8-19(2)3/h4-6H,7-8H2,1-3H3,(H2,15,17,20)(H2,16,18,21)