3-(3-azanyl-5-chloranyl-2,6-diethyl-phenyl)-1-(3,4-dihydro-2H-thiochromen-4-yl)-1-(4-propan-2-ylphenyl)urea

Systemtic Name: 3-(3-azanyl-5-chloranyl-2,6-diethyl-phenyl)-1-(3,4-dihydro-2H-thiochromen-4-yl)-1-(4-propan-2-ylphenyl)urea Openeye Name: 3-(3-amino-5-chloro-2,6-diethyl-phenyl)-1-(4-isopropylphenyl)-1-thiochroman-4-yl-urea CAS Name: 3-(3-amino-5-chloro-2,6-diethylphenyl)-1-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(4-propan-2-ylphenyl)urea IUPAC Name: 3-(3-amino-5-chloro-2,6-diethylphenyl)-1-(3,4-dihydro-2H-thiochromen-4-yl)-1-(4-propan-2-ylphenyl)urea Traditional Name: 3-(3-amino-5-chloro-2,6-diethyl-phenyl)-1-p-cumenyl-1-thiochroman-4-yl-urea Formula: C29H34ClN3OS MolecularWeight: 508.11776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1N)Cl)CC)NC(=O)N(C2CCSC3=CC=CC=C23)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCC1=C(C(=C(C=C1N)Cl)CC)NC(=O)N(C2CCSC3=CC=CC=C23)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C29H34ClN3OS/c1-5-21-24(30)17-25(31)22(6-2)28(21)32-29(34)33(20-13-11-19(12-14-20)18(3)4)26-15-16-35-27-10-8-7-9-23(26)27/h7-14,17-18,26H,5-6,15-16,31H2,1-4H3,(H,32,34)