1-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-3-[1-(phenylmethyl)piperidin-4-yl]thiourea

Systemtic Name: 1-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-3-[1-(phenylmethyl)piperidin-4-yl]thiourea Openeye Name: 1-(1-benzyl-4-piperidyl)-3-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)thiourea CAS Name: 1-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-3-[1-(phenylmethyl)-4-piperidinyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-4-yl)-3-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)thiourea Traditional Name: 1-(1-benzyl-4-piperidyl)-3-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)thiourea Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=S)NC3CCN(CC3)CC4=CC=CC=C4)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=S)NC3CCN(CC3)CC4=CC=CC=C4)CC2OC(=C1)O

InChI

InChI=1S/C23H29N3O2S/c1-16-13-22(27)28-21-14-19(7-8-20(16)21)25-23(29)24-18-9-11-26(12-10-18)15-17-5-3-2-4-6-17/h2-6,13,18,21,27H,7-12,14-15H2,1H3,(H,24,29)