[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: 2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 2-[(N-cyclohexyl-N-methyl-N'-phenyl-amidino)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H29N3O3S/c1-27(20-10-6-3-7-11-20)24(26-18-8-4-2-5-9-18)31-17-23(28)25-19-12-13-21-22(16-19)30-15-14-29-21/h2,4-5,8-9,12-13,16,20H,3,6-7,10-11,14-15,17H2,1H3,(H,25,28)