1-[5-(4-but-2-ynoxyphenyl)sulfanylpentyl]-3-oxidanyl-urea

Systemtic Name: 1-[5-(4-but-2-ynoxyphenyl)sulfanylpentyl]-3-oxidanyl-urea Openeye Name: 1-[5-(4-but-2-ynoxyphenyl)sulfanylpentyl]-3-hydroxy-urea CAS Name: 1-[5-[(4-but-2-ynoxyphenyl)thio]pentyl]-3-hydroxyurea IUPAC Name: 1-[5-(4-but-2-ynoxyphenyl)sulfanylpentyl]-3-hydroxyurea Traditional Name: 1-[5-[(4-but-2-ynoxyphenyl)thio]pentyl]-3-hydroxy-urea Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SCCCCCNC(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SCCCCCNC(=O)NO

InChI

InChI=1S/C16H22N2O3S/c1-2-3-12-21-14-7-9-15(10-8-14)22-13-6-4-5-11-17-16(19)18-20/h7-10,20H,4-6,11-13H2,1H3,(H2,17,18,19)