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

Systemtic Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC(=CC=C1)OC)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C/C(=N/NC(=S)NC1=CC(=CC=C1)OC)/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21N3O3S/c1-13(14-7-8-17-18(11-14)25-10-4-9-24-17)21-22-19(26)20-15-5-3-6-16(12-15)23-2/h3,5-8,11-12H,4,9-10H2,1-2H3,(H2,20,22,26)/b21-13-