N-cyclohexyl-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazine-1-carbothioamide

Systemtic Name: N-cyclohexyl-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazine-1-carbothioamide Openeye Name: N-cyclohexyl-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazine-1-carbothioamide CAS Name: N-cyclohexyl-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinecarbothioamide IUPAC Name: N-cyclohexyl-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazine-1-carbothioamide Traditional Name: N-cyclohexyl-4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazine-1-carbothioamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CCC(CC1)NC(=S)N2CCN(CC2)C(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H27N3O3S/c24-19(18-14-25-16-8-4-5-9-17(16)26-18)22-10-12-23(13-11-22)20(27)21-15-6-2-1-3-7-15/h4-5,8-9,15,18H,1-3,6-7,10-14H2,(H,21,27)/t18-/m0/s1