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

Systemtic Name: 4-[(3-methoxyphenyl)methyl]-N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)piperazine-1-carbothioamide Openeye Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-4-[(3-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-4-m-anisyl-piperazine-1-carbothioamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)OC)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)OC)CC2OC(=C1)O

InChI

InChI=1S/C23H29N3O3S/c1-16-12-22(27)29-21-14-18(6-7-20(16)21)24-23(30)26-10-8-25(9-11-26)15-17-4-3-5-19(13-17)28-2/h3-5,12-13,21,27H,6-11,14-15H2,1-2H3