1-butyl-3-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]thiourea

Systemtic Name: 1-butyl-3-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]thiourea CAS Name: 1-butyl-3-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]thiourea Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=C(C)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCCCNC(=S)N/N=C(/C)\C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C16H23N3O2S/c1-3-4-8-17-16(22)19-18-12(2)13-6-7-14-15(11-13)21-10-5-9-20-14/h6-7,11H,3-5,8-10H2,1-2H3,(H2,17,19,22)/b18-12-