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

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-chlorophenyl)thiourea Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-chlorophenyl)thiourea CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-chlorophenyl)thiourea IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-chlorophenyl)thiourea Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-chlorophenyl)thiourea Formula: C17H16Cl2N2O2S MolecularWeight: 383.29214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=S)NC3=CC=C(C=C3)Cl)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=S)NC3=CC=C(C=C3)Cl)Cl)OC1

InChI

InChI=1S/C17H16Cl2N2O2S/c18-12-2-4-13(5-3-12)21-17(24)20-10-11-8-14(19)16-15(9-11)22-6-1-7-23-16/h2-5,8-9H,1,6-7,10H2,(H2,20,21,24)