1-[(E)-[(11E)-11-(carbamothioylhydrazinylidene)dodecan-2-ylidene]amino]thiourea hydrate

Systemtic Name: 1-[(E)-[(11E)-11-(carbamothioylhydrazinylidene)dodecan-2-ylidene]amino]thiourea hydrate Openeye Name: [(E)-[(10E)-10-(carbamothioylhydrazono)-1-methyl-undecylidene]amino]thiourea hydrate CAS Name: [(E)-[(11E)-11-(carbamothioylhydrazinylidene)dodecan-2-ylidene]amino]thiourea hydrate IUPAC Name: [(E)-[(11E)-11-(carbamothioylhydrazinylidene)dodecan-2-ylidene]amino]thiourea hydrate Traditional Name: [(E)-[(10E)-1-methyl-10-(thiocarbamoylhydrazono)undecylidene]amino]thiourea hydrate Formula: C14H30N6OS2 MolecularWeight: 362.5576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N)CCCCCCCCC(=NNC(=S)N)C.O

Isomeric SMILES

C/C(=N\NC(=S)N)/CCCCCCCC/C(=N/NC(=S)N)/C.O

InChI

InChI=1S/C14H28N6S2.H2O/c1-11(17-19-13(15)21)9-7-5-3-4-6-8-10-12(2)18-20-14(16)22;/h3-10H2,1-2H3,(H3,15,19,21)(H3,16,20,22);1H2/b17-11+,18-12+;