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

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thiourea CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thiourea Traditional Name: 1-benzyl-3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thiourea Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=S)NCC3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=S)NCC3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C18H19ClN2O2S/c19-15-9-14(10-16-17(15)23-8-4-7-22-16)12-21-18(24)20-11-13-5-2-1-3-6-13/h1-3,5-6,9-10H,4,7-8,11-12H2,(H2,20,21,24)