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

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenethyl-thiourea Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenethylthiourea Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenethyl-thiourea Formula: C19H21ClN2O2S MolecularWeight: 376.90024

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=S)NCCC3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=S)NCCC3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C19H21ClN2O2S/c20-16-11-15(12-17-18(16)24-10-4-9-23-17)13-22-19(25)21-8-7-14-5-2-1-3-6-14/h1-3,5-6,11-12H,4,7-10,13H2,(H2,21,22,25)