1-(6-bromanyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(4-cyanophenyl)thiourea

Systemtic Name: 1-(6-bromanyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(4-cyanophenyl)thiourea Openeye Name: 1-(6-bromo-2,2-dimethyl-chroman-4-yl)-3-(4-cyanophenyl)thiourea CAS Name: 1-(6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-(4-cyanophenyl)thiourea IUPAC Name: 1-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(4-cyanophenyl)thiourea Traditional Name: 1-(6-bromo-2,2-dimethyl-chroman-4-yl)-3-(4-cyanophenyl)thiourea Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=CC(=C2)Br)NC(=S)NC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1(CC(C2=C(O1)C=CC(=C2)Br)NC(=S)NC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C19H18BrN3OS/c1-19(2)10-16(15-9-13(20)5-8-17(15)24-19)23-18(25)22-14-6-3-12(11-21)4-7-14/h3-9,16H,10H2,1-2H3,(H2,22,23,25)