4-(1,3-benzodioxol-5-ylmethyl)-N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)piperazine-1-carbothioamide Traditional Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-4-piperonyl-piperazine-1-carbothioamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=S)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=S)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)CC2OC(=C1)O

InChI

InChI=1S/C23H27N3O4S/c1-15-10-22(27)30-20-12-17(3-4-18(15)20)24-23(31)26-8-6-25(7-9-26)13-16-2-5-19-21(11-16)29-14-28-19/h2,5,10-11,20,27H,3-4,6-9,12-14H2,1H3