6-[(3-isocyanato-4-methyl-phenyl)carbamoylamino]hexylcarbamodithioic acid

Systemtic Name: 6-[(3-isocyanato-4-methyl-phenyl)carbamoylamino]hexylcarbamodithioic acid Openeye Name: 6-[(3-isocyanato-4-methyl-phenyl)carbamoylamino]hexylcarbamodithioic acid CAS Name: 6-[[(3-isocyanato-4-methylanilino)-oxomethyl]amino]hexylcarbamodithioic acid IUPAC Name: 6-[(3-isocyanato-4-methylphenyl)carbamoylamino]hexylcarbamodithioic acid Traditional Name: 6-[(3-isocyanato-4-methyl-phenyl)carbamoylamino]hexylcarbamodithioic acid Formula: C16H22N4O2S2 MolecularWeight: 366.50148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCCCCCCNC(=S)S)N=C=O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCCCCCCNC(=S)S)N=C=O

InChI

InChI=1S/C16H22N4O2S2/c1-12-6-7-13(10-14(12)19-11-21)20-15(22)17-8-4-2-3-5-9-18-16(23)24/h6-7,10H,2-5,8-9H2,1H3,(H2,17,20,22)(H2,18,23,24)