1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[[2-(2-thienyl)thiazol-4-yl]methyl]urea CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2-thiophen-2-yl-4-thiazolyl)methyl]urea IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[[2-(2-thienyl)thiazol-4-yl]methyl]urea Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)NCC3=CSC(=N3)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)NCC3=CSC(=N3)C4=CC=CS4)OC1

InChI

InChI=1S/C18H17N3O3S2/c22-18(19-10-13-11-26-17(20-13)16-3-1-8-25-16)21-12-4-5-14-15(9-12)24-7-2-6-23-14/h1,3-5,8-9,11H,2,6-7,10H2,(H2,19,21,22)