1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea Traditional Name: 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea Formula: C17H18N2O2S MolecularWeight: 314.40202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=S)NCC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=S)NCC3=CC=CC=C3)OC1

InChI

InChI=1S/C17H18N2O2S/c22-17(18-12-13-5-2-1-3-6-13)19-14-7-8-15-16(11-14)21-10-4-9-20-15/h1-3,5-8,11H,4,9-10,12H2,(H2,18,19,22)