1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-[(4-methoxyphenyl)methyl]thiourea

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-p-anisyl-thiourea Formula: C19H21ClN2O3S MolecularWeight: 392.89964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H21ClN2O3S/c1-23-15-5-3-13(4-6-15)11-21-19(26)22-12-14-9-16(20)18-17(10-14)24-7-2-8-25-18/h3-6,9-10H,2,7-8,11-12H2,1H3,(H2,21,22,26)