N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-4-pyridin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-4-pyridin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-4-(2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-4-(2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-4-pyridin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-4-(2-pyridyl)piperazine-1-carbothioamide Formula: C20H24N4O2S MolecularWeight: 384.49516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=S)N3CCN(CC3)C4=CC=CC=N4)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=S)N3CCN(CC3)C4=CC=CC=N4)CC2OC(=C1)O

InChI

InChI=1S/C20H24N4O2S/c1-14-12-19(25)26-17-13-15(5-6-16(14)17)22-20(27)24-10-8-23(9-11-24)18-4-2-3-7-21-18/h2-4,7,12,17,25H,5-6,8-11,13H2,1H3