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

Systemtic Name: 1-[[(3S)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]carbonylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[[(3S)-6-chlorochromane-3-carbonyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[[(3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl]-oxomethyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[[(3S)-6-chlorochroman-3-carbonyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2CC3=C(C=CC(=C3)Cl)OC2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2)C

InChI

InChI=1S/C20H22ClN3O2S/c1-3-13-6-4-5-12(2)18(13)22-20(27)24-23-19(25)15-9-14-10-16(21)7-8-17(14)26-11-15/h4-8,10,15H,3,9,11H2,1-2H3,(H,23,25)(H2,22,24,27)/t15-/m0/s1