methyl 1-[(2,7-dimethyl-2-propyl-chromen-6-yl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(2,7-dimethyl-2-propyl-chromen-6-yl)carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(2,7-dimethyl-2-propyl-chromen-6-yl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[(2,7-dimethyl-2-propyl-1-benzopyran-6-yl)amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2,7-dimethyl-2-propylchromen-6-yl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(2,7-dimethyl-2-propyl-chromen-6-yl)thiocarbamoyl]isonipecotic acid methyl ester Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C=CC2=CC(=C(C=C2O1)C)NC(=S)N3CCC(CC3)C(=O)OC)C

Isomeric SMILES

CCCC1(C=CC2=CC(=C(C=C2O1)C)NC(=S)N3CCC(CC3)C(=O)OC)C

InChI

InChI=1S/C22H30N2O3S/c1-5-9-22(3)10-6-17-14-18(15(2)13-19(17)27-22)23-21(28)24-11-7-16(8-12-24)20(25)26-4/h6,10,13-14,16H,5,7-9,11-12H2,1-4H3,(H,23,28)