1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-furylmethyl)thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(2-furanylmethyl)thiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-furfuryl)thiourea Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CO3

InChI

InChI=1S/C18H23N3O3S2/c22-26(23,21-11-3-1-2-4-12-21)17-9-7-15(8-10-17)20-18(25)19-14-16-6-5-13-24-16/h5-10,13H,1-4,11-12,14H2,(H2,19,20,25)