1-methyl-3-[(E)-[(3Z)-3-(phenylsulfonylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea

Systemtic Name: 1-methyl-3-[(E)-[(3Z)-3-(phenylsulfonylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea Openeye Name: 1-(benzenesulfonyl)-3-[(Z)-[(2E)-1-methyl-2-(methylcarbamothioylhydrazono)propylidene]amino]thiourea CAS Name: 1-[(E)-[(3Z)-3-[[benzenesulfonamido(sulfanylidene)methyl]hydrazinylidene]butan-2-ylidene]amino]-3-methylthiourea IUPAC Name: 1-(benzenesulfonyl)-3-[(Z)-[(3E)-3-(methylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea Traditional Name: 1-besyl-3-[(Z)-[(2E)-1-methyl-2-(methylthiocarbamoylhydrazono)propylidene]amino]thiourea Formula: C13H18N6O2S3 MolecularWeight: 386.51602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC)C(=NNC(=S)NS(=O)(=O)C1=CC=CC=C1)C

Isomeric SMILES

C/C(=N\NC(=S)NC)/C(=N\NC(=S)NS(=O)(=O)C1=CC=CC=C1)/C

InChI

InChI=1S/C13H18N6O2S3/c1-9(15-17-12(22)14-3)10(2)16-18-13(23)19-24(20,21)11-7-5-4-6-8-11/h4-8H,1-3H3,(H2,14,17,22)(H2,18,19,23)/b15-9+,16-10-