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

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-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-prop-2-enylthiourea IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thiourea Formula: C14H17ClN2O2S MolecularWeight: 312.81498

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NCC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

C=CCNC(=S)NCC1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C14H17ClN2O2S/c1-2-4-16-14(20)17-9-10-7-11(15)13-12(8-10)18-5-3-6-19-13/h2,7-8H,1,3-6,9H2,(H2,16,17,20)