1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-furylmethyl)thiourea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(2-furanylmethyl)thiourea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-furfuryl)thiourea Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=S)NCC3=CC=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=S)NCC3=CC=CO3

InChI

InChI=1S/C19H25N3O4S2/c1-25-18-9-8-16(28(23,24)22-10-4-2-3-5-11-22)13-17(18)21-19(27)20-14-15-7-6-12-26-15/h6-9,12-13H,2-5,10-11,14H2,1H3,(H2,20,21,27)