1-[6-(aziridin-1-yl)hexyl]-3-octadecyl-thiourea

Systemtic Name: 1-[6-(aziridin-1-yl)hexyl]-3-octadecyl-thiourea Openeye Name: 1-[6-(aziridin-1-yl)hexyl]-3-octadecyl-thiourea CAS Name: 1-[6-(1-aziridinyl)hexyl]-3-octadecylthiourea IUPAC Name: 1-[6-(aziridin-1-yl)hexyl]-3-octadecylthiourea Traditional Name: 1-(6-ethyleniminohexyl)-3-stearyl-thiourea Formula: C27H55N3S MolecularWeight: 453.8107

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=S)NCCCCCCN1CC1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=S)NCCCCCCN1CC1

InChI

InChI=1S/C27H55N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-27(31)29-23-20-17-18-21-24-30-25-26-30/h2-26H2,1H3,(H2,28,29,31)