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

Systemtic Name: 1-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea Openeye Name: 1-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-3-[4-(1-piperidylmethyl)phenyl]thiourea CAS Name: 1-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-3-[4-(1-piperidinylmethyl)phenyl]thiourea IUPAC Name: 1-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea Traditional Name: 1-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-3-[4-(piperidinomethyl)phenyl]thiourea Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=S)NC3=CC=C(C=C3)CN4CCCCC4)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=S)NC3=CC=C(C=C3)CN4CCCCC4)CC2OC(=C1)O

InChI

InChI=1S/C23H29N3O2S/c1-16-13-22(27)28-21-14-19(9-10-20(16)21)25-23(29)24-18-7-5-17(6-8-18)15-26-11-3-2-4-12-26/h5-8,13,21,27H,2-4,9-12,14-15H2,1H3,(H,24,29)