1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(prop-2-enylcarbamothioylamino)thiourea

Systemtic Name: 1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(prop-2-enylcarbamothioylamino)thiourea Openeye Name: 1-allyl-3-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbamothioylamino]thiourea CAS Name: 1-[[[5-(dimethylsulfamoyl)-2-methylanilino]-sulfanylidenemethyl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(prop-2-enylcarbamothioylamino)thiourea Traditional Name: 1-allyl-3-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]thiocarbamoylamino]thiourea Formula: C14H21N5O2S3 MolecularWeight: 387.54384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NNC(=S)NCC=C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NNC(=S)NCC=C

InChI

InChI=1S/C14H21N5O2S3/c1-5-8-15-13(22)17-18-14(23)16-12-9-11(7-6-10(12)2)24(20,21)19(3)4/h5-7,9H,1,8H2,2-4H3,(H2,15,17,22)(H2,16,18,23)