1-[[(3S)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[[(3S)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[[(3S)-6-chlorochromane-3-carbonyl]amino]-3-pentyl-thiourea CAS Name: 1-[[[(3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[(3S)-6-chlorochroman-3-carbonyl]amino]thiourea Formula: C16H22ClN3O2S MolecularWeight: 355.88278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1CC2=C(C=CC(=C2)Cl)OC1

Isomeric SMILES

CCCCCNC(=S)NNC(=O)[C@H]1CC2=C(C=CC(=C2)Cl)OC1

InChI

InChI=1S/C16H22ClN3O2S/c1-2-3-4-7-18-16(23)20-19-15(21)12-8-11-9-13(17)5-6-14(11)22-10-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,19,21)(H2,18,20,23)/t12-/m0/s1